Voacangine

CAS Registry Number®

510-22-5
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CAS Name

Voacangine

Molecular Formula

C22H28N2O3

Molecular Mass

368.47

Cite this Page

Voacangine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=510-22-5 (retrieved 2024-04-16) (CAS RN: 510-22-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    137-138 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13?,14-,20?,22+/m0/s1

InChIKey

InChIKey=MMAYTCMMKJYIAM-YHUQXSHZSA-N

SMILES

C(OC)(=O)[C@]12[C@]3([N@](CC(C1)(C[C@@H]3CC)[H])CCC4=C2NC=5C4=CC(OC)=CC5)[H]

Canonical SMILES

O=C(OC)C12C=3NC=4C=CC(OC)=CC4C3CCN5CC(CC(CC)C51)C2

Other Names for this Substance

  • Ibogamine-18-carboxylic acid, 12-methoxy-, methyl ester
  • Voacangine
  • 6,9-Methano-5H-pyrido[1′,2′:1,2]azepino[4,5-b]indole, ibogamine-18-carboxylic acid deriv.
  • Carbomethoxyibogaine
  • (-)-Voacangine

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