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Substance Name: Ibogamine-18-carboxylic acid, 12-((3alpha)-17-methoxy-17-oxovobasan-3-yl)-, methyl ester
RN: 80981-94-8
InChIKey: CGVRBBCFDQVSEW-ONAMSPKSSA-N

Molecular Formula

  • C42-H50-N4-O4

Molecular Weight

  • 674.881
 
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Names and Synonyms

  • Ibogamine-18-carboxylic acid, 12-((3alpha)-17-methoxy-17-oxovobasan-3-yl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 80981-94-8

System Generated Number

  • 0080981948

Structure Descriptors

InChI

1S/C42H50N4O4/c1-6-24-16-23-20-42(41(48)50-5)38-28(14-15-46(21-23)39(24)42)31-17-26(12-13-34(31)44-38)30-18-29-25(7-2)22-45(3)35(36(29)40(47)49-4)19-32-27-10-8-9-11-33(27)43-37(30)32/h7-13,17,23-24,29-30,35-36,39,43-44H,6,14-16,18-22H2,1-5H3/b25-7-

InChIKey

CGVRBBCFDQVSEW-ONAMSPKSSA-N

Smiles

[nH]1c2ccc(cc2c2c1[C@@]1([C@@H]3[N@@](CC2)C[C@@H](C1)C[C@@H]3CC)C(OC)=O)[C@@H]1C[C@@H]2C(\C[N@@]([C@@H](Cc3c1[nH]c1c3cccc1)[C@@H]2C(OC)=O)C)=C\C