Ibogamine-18-carboxylic acid, 14-[(2S,5E,6R,8S,14S)-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-13-methoxy-, methyl ester
CAS Registry Number®
1357-30-8
CAS Name
Ibogamine-18-carboxylic acid, 14-[(2S,5E,6R,8S,14S)-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-13-methoxy-, methyl esterMolecular Formula
C42H50N4O5Molecular Mass
690.87Cite this Page
Ibogamine-18-carboxylic acid, 14-[(2S,5E,6R,8S,14S)-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-13-methoxy-, methyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1357-30-8 (retrieved ) (CAS RN: 1357-30-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H50N4O5/c1-6-23-16-22-19-42(41(48)51-5)38-27(14-15-46(21-22)39(23)42)26-12-13-33(49-3)35(37(26)45-38)30-17-28-24(7-2)20-43-32(34(28)40(47)50-4)18-29-25-10-8-9-11-31(25)44-36(29)30/h7-13,22-23,28,30,32,34,39,43-45H,6,14-21H2,1-5H3/b24-7-/t22-,23+,28+,30-,32+,34+,39+,42-/m1/s1
InChIKey
InChIKey=RGNYMFZZBBTLNA-CMWMSGDWSA-N
SMILES
C(OC)(=O)[C@]12C3=C(C=4C(N3)=C(C(OC)=CC4)[C@@H]5C6=C(C=7C(N6)=CC=CC7)C[C@]8([C@@H](C(OC)=O)[C@@](C5)(/C(=C\C)/CN8)[H])[H])CC[N@@]9[C@]1([C@@H](CC)C[C@](C2)(C9)[H])[H]
Canonical SMILES
O=C(OC)C1C2NCC(=CC)C1CC(C=3NC=4C=CC=CC4C3C2)C5=C(OC)C=CC6=C5NC7=C6CCN8CC9CC(CC)C8C7(C(=O)OC)C9
Other Names for this Substance
- Ibogamine-18-carboxylic acid, 14-[(2S,5E,6R,8S,14S)-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-13-methoxy-, methyl ester
- Ibogamine-18-carboxylic acid, 14-[(3α)-4-demethyl-17-methoxy-17-oxovobasan-3-yl]-13-methoxy-, methyl ester
- Conodurine, N-demethyl-
- 6,9-Methano-5H-pyrido[1′,2′:1,2]azepino[4,5-b]indole, ibogamine-18-carboxylic acid deriv.
- Vobasan, ibogamine-18-carboxylic acid deriv.
