Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-, methyl ester, (20S)-

CAS Registry Number®

545-84-6

CAS Name

Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-, methyl ester, (20S)-

Molecular Formula

C22H28N2O4

Molecular Mass

384.47

Cite 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 2024-11-22) (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-VJMPXSKLSA-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)(C[C@](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

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Deleted or Replaced CAS Registry Numbers

6880-57-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration