Conodurine

CAS Registry Number®

2665-57-8

CAS Name

Conodurine

Molecular Formula

C43H52N4O5

Molecular Mass

704.90

Cite this Page

Conodurine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2665-57-8 (retrieved 2024-11-28) (CAS RN: 2665-57-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    222-225 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QJHYXWBJZHUJGS-UHFFFAOYSA-N

SMILES

C(OC)(=O)C12C3=C(C=4C(N3)=C(C(OC)=CC4)C5C6=C(C=7C(N6)=CC=CC7)CC8C(C(OC)=O)C(C5)C(=CC)CN8C)CCN9C1C(CC)CC(C2)C9

Canonical SMILES

O=C(OC)C1C2C(=CC)CN(C)C1CC=3C=4C=CC=CC4NC3C(C5=C(OC)C=CC6=C5NC7=C6CCN8CC9CC(CC)C8C7(C(=O)OC)C9)C2

Other Names for this Substance

  • Ibogamine-18-carboxylic acid, 13-methoxy-14-[(3α)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester
  • Conodurine
  • 6,9-Methano-5H-pyrido[1′,2′:1,2]azepino[4,5-b]indole, ibogamine-18-carboxylic acid deriv.
  • 2,6-Methano-1H-azecino[5,4-b]indole, ibogamine-18-carboxylic acid deriv.
  • Vobasan, ibogamine-18-carboxylic acid deriv.

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