Voacamine

CAS Registry Number®

3371-85-5
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CAS Name

Voacamine

Molecular Formula

C43H52N4O5

Molecular Mass

704.90

Cite this Page

Voacamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3371-85-5 (retrieved 2024-04-25) (CAS RN: 3371-85-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220-223 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23?,24-,28-,31+,35-,37+,40?,43+/m0/s1

InChIKey

InChIKey=VCMIRXRRQJNZJT-YLMWKUSMSA-N

SMILES

C(OC)(=O)[C@]12C3=C(C=4C(N3)=CC(=C(OC)C4)[C@@H]5C6=C(C=7C(N6)=CC=CC7)C[C@]8([C@H](C(OC)=O)[C@@](C5)(/C(=C\C)/CN8C)[H])[H])CC[N@@]9[C@]1([C@@H](CC)CC(C2)(C9)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Ibogamine-18-carboxylic acid, 12-methoxy-13-[(3α)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester
  • Voacamine
  • 6,9-Methano-5H-pyrido[1′,2′:1,2]azepino[4,5-b]indole-6(6aH)-carboxylic acid, 3-(14-carboxy-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-3-methyl-2,6-methano-1H-azecino[5,4-b]indol-8-yl)-7-ethyl-7,8,9,10,12,13-hexahydro-2-methoxy-, dimethyl ester
  • Voacanginine
  • NSC 82591

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