Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-13-[(3α)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester, (20R)-

CAS Registry Number®

4835-65-8

CAS Name

Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-13-[(3α)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester, (20R)-

Molecular Formula

C43H52N4O6

Molecular Mass

720.90

Cite this Page

Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-13-[(3α)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester, (20R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4835-65-8 (retrieved 2024-11-12) (CAS RN: 4835-65-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    265 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C43H52N4O6/c1-7-24-21-46(3)35-17-32-25-10-8-9-11-33(25)44-38(32)31(15-28(24)37(35)41(49)52-5)30-16-34-29(18-36(30)51-4)26-12-13-47-20-23-14-27(22(2)48)40(47)43(19-23,39(26)45-34)42(50)53-6/h7-11,16,18,22-23,27-28,31,35,37,40,44-45,48H,12-15,17,19-21H2,1-6H3

InChIKey

InChIKey=UIEKMUULTFWIHX-UHFFFAOYSA-N

SMILES

C(OC)(=O)C12C3=C(C=4C(N3)=CC(=C(OC)C4)C5C6=C(C=7C(N6)=CC=CC7)CC8C(C(OC)=O)C(C5)C(=CC)CN8C)CCN9C1C(C(C)O)CC(C2)C9

Canonical SMILES

O=C(OC)C1C2C(=CC)CN(C)C1CC=3C=4C=CC=CC4NC3C(C5=CC=6NC7=C(C6C=C5OC)CCN8CC9CC(C(O)C)C8C7(C(=O)OC)C9)C2

Other Names for this Substance

  • Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-13-[(3α)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester, (20R)-
  • Epivoacorine
  • Vobasan, ibogamine-18-carboxylic acid deriv.
  • 6,9-Methano-5H-pyrido[1′,2′:1,2]azepino[4,5-b]indole, ibogamine-18-carboxylic acid deriv.
  • 2,6-Methano-1H-azecino[5,4-b]indole, ibogamine-18-carboxylic acid deriv.

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