Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-, methyl ester, (20S)-
CAS Registry Number®
545-84-6
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CAS Name
Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-, methyl ester, (20S)-Molecular Formula
C22H28N2O4Molecular Mass
384.47Cite this Page
Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-, methyl ester, (20S)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=545-84-6 (retrieved ) (CAS RN: 545-84-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
112-114 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C22H28N2O4/c1-12(25)16-8-13-10-22(21(26)28-3)19-15(6-7-24(11-13)20(16)22)17-9-14(27-2)4-5-18(17)23-19/h4-5,9,12-13,16,20,23,25H,6-8,10-11H2,1-3H3/t12-,13?,16+,20?,22+/m0/s1
InChIKey
InChIKey=OYMQKBZMKFJPMH-NXWKNYNFSA-N
SMILES
C(OC)(=O)[C@]12C3=C(C=4C(N3)=CC=C(OC)C4)CC[N@@]5[C@]1([C@@]([C@H](C)O)(CC(C2)(C5)[H])[H])[H]
Canonical SMILES
O=C(OC)C12C=3NC=4C=CC(OC)=CC4C3CCN5CC(CC(C(O)C)C51)C2
Other Names for this Substance
- Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-, methyl ester, (20S)-
- Voacristine
- 6,9-Methano-5H-pyrido[1′,2′:1,2]azepino[4,5-b]indole, ibogamine-18-carboxylic acid deriv.
- Voacangarine
- (-)-Voacangarine
Deleted or Replaced CAS Registry Numbers
6880-57-5
