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Set ID d04e6eda-8d2d-4cca-b6c5-9f3564069109
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  • INGREDIENTS AND APPEARANCE
    LINOLEAMIDOPROPYL PG-DIMONIUM CHLORIDE PHOSPHATE  (5Q87K461JO)
    Alias Name
    Name Name Type Assigning Territory Assigning Organization Reference Document Citation Policy
    LINOLEAMIDOPROPYL PG-DIMONIUM CHLORIDE PHOSPHATE primary name
    Substance Information
    Mapping Definition Hash: dbaeb065-e01e-728b-26ba-c3b56a742dc8
    Moiety (mixture component)
    Name Quantity Undefined not 0
    Part1Moiety (mixture component)
    Name Quantity 1 
    Moiety  Characteristics
    Chemical Structure, MOLFILE 
    C78H150Cl3N6O10P
  -FDASRS-09071311142D

107103  0  0  0  0  0  0  0  0999 V2000
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    6.0036   -9.3491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6886   -9.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4964   -8.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6077  -11.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2423  -12.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7825  -16.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5437  -10.7867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2968  -10.8339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 15 33  2  0  0  0  0
  2 34  2  0  0  0  0
  2 35  1  0  0  0  0
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  2 66  1  0  0  0  0
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 91 92  1  0  0  0  0
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 93 94  1  0  0  0  0
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 78 96  2  0  0  0  0
  5 99  1  0  0  0  0
  6100  1  0  0  0  0
 14101  1  0  0  0  0
 37102  1  0  0  0  0
 38103  1  0  0  0  0
 46104  1  0  0  0  0
 68105  1  0  0  0  0
 69106  1  0  0  0  0
 77107  1  0  0  0  0
M  CHG  6   1  -1   8   1  40   1  71   1  97  -1  98  -1
M  STY  1   1 MUL
M  SLB  1   1   1
M  SAL   1  3   1  97  98
M  SPA   1  1   1
M  SMT   1 3
M  SDI   1  4    2.7880  -16.9093    2.7880  -15.4944
M  SDI   1  4    4.4530  -15.4944    4.4530  -16.9093
M  END
    Chemical Structures, InChI InChI=1S/C78H147N6O10P.3ClH/c1-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-76(88)79-61-55-64-82(4,5)67-73(85)70-92-95(91,93-71-74(86)68-83(6,7)65-56-62-80-77(89)59-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-2)94-72-75(87)69-84(8,9)66-57-63-81-78(90)60-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-3;;;/h22-27,31-36,73-75,85-87H,10-21,28-30,37-72H2,1-9H3;3*1H/b25-22-,26-23-,27-24-,34-31-,35-32-,36-33-;;;/t73-,74-,75-;;;/m0.../s1
    Chemical Structure, InChI Key ISRLGZXSKRDKID-HICHISTASA-N
    Part2Moiety (mixture component)
    Name Quantity 1 
    Moiety  Characteristics
    Chemical Structure, MOLFILE 
    C78H150Cl3N6O10P
  -FDASRS-09071311142D

107103  0  0  0  0  0  0  0  0999 V2000
    3.4385  -16.2818    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2521   -9.1368    0.0000 P   0  0  2  0  0  0  0  0  0  0  0  0
    6.0036   -9.3491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6886   -9.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3559   -9.3491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3559   -8.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0365   -9.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7084   -9.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2874   -8.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4964   -8.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3889   -9.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0697   -9.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7414   -9.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4222   -9.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0941   -9.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7747   -9.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4509   -9.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1228   -9.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8035   -9.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4797   -9.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1603   -9.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8365   -9.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5085   -9.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4030  -10.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6598  -10.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6598  -11.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750  -11.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2901  -11.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 89 90  2  0  0  0  0
 90 91  1  0  0  0  0
 91 92  1  0  0  0  0
 92 93  1  0  0  0  0
 93 94  1  0  0  0  0
 94 95  1  0  0  0  0
 78 96  2  0  0  0  0
  5 99  1  1  0  0  0
  6100  1  0  0  0  0
 14101  1  0  0  0  0
 37102  1  1  0  0  0
 38103  1  0  0  0  0
 46104  1  0  0  0  0
 68105  1  1  0  0  0
 69106  1  0  0  0  0
 77107  1  0  0  0  0
M  CHG  6   1  -1   8   1  40   1  71   1  97  -1  98  -1
M  STY  1   1 MUL
M  SLB  1   1   1
M  SAL   1  3   1  97  98
M  SPA   1  1   1
M  SMT   1 3
M  SDI   1  4    2.7880  -16.9093    2.7880  -15.4944
M  SDI   1  4    4.4530  -15.4944    4.4530  -16.9093
M  END
    Chemical Structures, InChI InChI=1S/C78H147N6O10P.3ClH/c1-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-76(88)79-61-55-64-82(4,5)67-73(85)70-92-95(91,93-71-74(86)68-83(6,7)65-56-62-80-77(89)59-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-2)94-72-75(87)69-84(8,9)66-57-63-81-78(90)60-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-3;;;/h22-27,31-36,73-75,85-87H,10-21,28-30,37-72H2,1-9H3;3*1H/b25-22-,26-23-,27-24-,34-31-,35-32-,36-33-;;;/t73-,74-,75-;;;/m1.../s1
    Chemical Structure, InChI Key ISRLGZXSKRDKID-AOTDMZJUSA-N
    Moiety (mixture component)
    Name Quantity Undefined not 0
    Part1Moiety (mixture component)
    Name Quantity 1 
    Moiety  Characteristics
    Chemical Structure, MOLFILE 
    C78H150Cl3N6O10P
  -FDASRS-09071311142D

107103  0  0  0  0  0  0  0  0999 V2000
    3.4385  -16.2818    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.6886   -9.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3559   -9.3491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3559   -8.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0365   -9.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7084   -9.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2874   -8.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4964   -8.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3889   -9.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0697   -9.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7414   -9.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4222   -9.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0941   -9.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7747   -9.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4509   -9.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1228   -9.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5085   -9.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6050  -11.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2353  -11.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5505  -11.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7294   -8.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382   -8.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7749   -6.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9483   -6.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9868   -7.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6453   -7.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3394   -7.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9980   -7.3646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6873   -7.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3503   -7.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0401   -7.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7028   -7.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4244   -7.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0596   -6.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7533   -6.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4121   -5.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3810   -5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1517   -4.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1837   -4.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5117   -3.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8101   -4.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1382   -3.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4366   -3.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7647   -3.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9384  -11.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5879  -11.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2643  -11.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9050  -12.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6077  -11.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2489  -12.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2423  -12.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5528  -13.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4852  -14.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4785  -15.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7893  -15.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7825  -16.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8522  -12.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 15 33  2  0  0  0  0
  2 34  2  1  0  0  0
  2 35  1  0  0  0  0
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 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
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 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 47 65  2  0  0  0  0
  2 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 68 69  1  0  0  0  0
 68 70  1  0  0  0  0
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 71 72  1  0  0  0  0
 71 73  1  0  0  0  0
 71 74  1  0  0  0  0
 74 75  1  0  0  0  0
 75 76  1  0  0  0  0
 76 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 81 82  1  0  0  0  0
 82 83  1  0  0  0  0
 83 84  1  0  0  0  0
 84 85  1  0  0  0  0
 85 86  1  0  0  0  0
 86 87  2  0  0  0  0
 87 88  1  0  0  0  0
 88 89  1  0  0  0  0
 89 90  2  0  0  0  0
 90 91  1  0  0  0  0
 91 92  1  0  0  0  0
 92 93  1  0  0  0  0
 93 94  1  0  0  0  0
 94 95  1  0  0  0  0
 78 96  2  0  0  0  0
  5 99  1  6  0  0  0
  6100  1  0  0  0  0
 14101  1  0  0  0  0
 37102  1  6  0  0  0
 38103  1  0  0  0  0
 46104  1  0  0  0  0
 68105  1  1  0  0  0
 69106  1  0  0  0  0
 77107  1  0  0  0  0
M  CHG  6   1  -1   8   1  40   1  71   1  97  -1  98  -1
M  STY  1   1 MUL
M  SLB  1   1   1
M  SAL   1  3   1  97  98
M  SPA   1  1   1
M  SMT   1 3
M  SDI   1  4    2.7880  -16.9093    2.7880  -15.4944
M  SDI   1  4    4.4530  -15.4944    4.4530  -16.9093
M  END
    Chemical Structures, InChI InChI=1S/C78H147N6O10P.3ClH/c1-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-76(88)79-61-55-64-82(4,5)67-73(85)70-92-95(91,93-71-74(86)68-83(6,7)65-56-62-80-77(89)59-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-2)94-72-75(87)69-84(8,9)66-57-63-81-78(90)60-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-3;;;/h22-27,31-36,73-75,85-87H,10-21,28-30,37-72H2,1-9H3;3*1H/b25-22-,26-23-,27-24-,34-31-,35-32-,36-33-;;;/t73-,74-,75+;;;/m0.../s1
    Chemical Structure, InChI Key ISRLGZXSKRDKID-QEQZMKTCSA-N
    Part2Moiety (mixture component)
    Name Quantity 1 
    Moiety  Characteristics
    Chemical Structure, MOLFILE 
    C78H150Cl3N6O10P
  -FDASRS-09071311142D

107103  0  0  0  0  0  0  0  0999 V2000
    3.4385  -16.2818    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2521   -9.1368    0.0000 P   0  0  2  0  0  0  0  0  0  0  0  0
    6.0036   -9.3491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6886   -9.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3559   -9.3491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3559   -8.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0365   -9.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7084   -9.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2874   -8.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4964   -8.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3889   -9.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0697   -9.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7414   -9.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4222   -9.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0941   -9.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7747   -9.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4509   -9.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1228   -9.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8035   -9.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4797   -9.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1603   -9.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8365   -9.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5085   -9.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4030  -10.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6598  -10.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6598  -11.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750  -11.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2901  -11.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6050  -11.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9201  -11.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2353  -11.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5505  -11.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0941  -10.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2521   -9.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7294   -8.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382   -8.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8787   -7.8332    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6576   -7.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7272   -8.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2310   -7.3866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7749   -6.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9483   -6.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9868   -7.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6453   -7.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3394   -7.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9980   -7.3646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6873   -7.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3503   -7.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0401   -7.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7028   -7.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4244   -7.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0641   -7.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2408   -6.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0596   -6.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7533   -6.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4121   -5.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3810   -5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1517   -4.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1837   -4.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5117   -3.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8101   -4.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1382   -3.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4366   -3.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7647   -3.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6873   -8.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5892   -8.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8820   -9.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8820   -9.8883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5538  -10.2948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836  -10.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836  -11.0508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3836  -10.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836  -11.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2398  -11.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9118  -11.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5569  -11.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2644  -11.3248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9051  -11.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5990  -11.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2400  -11.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9384  -11.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5879  -11.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2643  -11.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9050  -12.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6077  -11.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2489  -12.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2423  -12.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5528  -13.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5463  -14.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8568  -14.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1746  -14.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4852  -14.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4785  -15.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7893  -15.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7825  -16.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8522  -12.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385  -16.2818    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4385  -16.2818    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9287   -9.1050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7820   -8.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4236   -8.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3877   -7.8016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9809   -6.8171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9786   -6.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3106   -9.6467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5437  -10.7867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2968  -10.8339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 15 33  2  0  0  0  0
  2 34  2  6  0  0  0
  2 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 47 65  2  0  0  0  0
  2 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 68 69  1  0  0  0  0
 68 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 71 73  1  0  0  0  0
 71 74  1  0  0  0  0
 74 75  1  0  0  0  0
 75 76  1  0  0  0  0
 76 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 81 82  1  0  0  0  0
 82 83  1  0  0  0  0
 83 84  1  0  0  0  0
 84 85  1  0  0  0  0
 85 86  1  0  0  0  0
 86 87  2  0  0  0  0
 87 88  1  0  0  0  0
 88 89  1  0  0  0  0
 89 90  2  0  0  0  0
 90 91  1  0  0  0  0
 91 92  1  0  0  0  0
 92 93  1  0  0  0  0
 93 94  1  0  0  0  0
 94 95  1  0  0  0  0
 78 96  2  0  0  0  0
  5 99  1  1  0  0  0
  6100  1  0  0  0  0
 14101  1  0  0  0  0
 37102  1  1  0  0  0
 38103  1  0  0  0  0
 46104  1  0  0  0  0
 68105  1  6  0  0  0
 69106  1  0  0  0  0
 77107  1  0  0  0  0
M  CHG  6   1  -1   8   1  40   1  71   1  97  -1  98  -1
M  STY  1   1 MUL
M  SLB  1   1   1
M  SAL   1  3   1  97  98
M  SPA   1  1   1
M  SMT   1 3
M  SDI   1  4    2.7880  -16.9093    2.7880  -15.4944
M  SDI   1  4    4.4530  -15.4944    4.4530  -16.9093
M  END
    Chemical Structures, InChI InChI=1S/C78H147N6O10P.3ClH/c1-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-76(88)79-61-55-64-82(4,5)67-73(85)70-92-95(91,93-71-74(86)68-83(6,7)65-56-62-80-77(89)59-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-2)94-72-75(87)69-84(8,9)66-57-63-81-78(90)60-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-3;;;/h22-27,31-36,73-75,85-87H,10-21,28-30,37-72H2,1-9H3;3*1H/b25-22-,26-23-,27-24-,34-31-,35-32-,36-33-;;;/t73-,74-,75+;;;/m1.../s1
    Chemical Structure, InChI Key ISRLGZXSKRDKID-LCMQBHBMSA-N
    Molecular Bond Types
    Product Information
    Product Type INDEXING - SUBSTANCE Item Code (Source) 5Q87K461JO
    Labeler - Food and Drug Administration (927645523)
    Close
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