Tabernamine

CAS Registry Number®

59626-92-5

CAS Name

Tabernamine

Molecular Formula

C40H48N4O2

Molecular Mass

616.83

Cite this Page

Tabernamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59626-92-5 (retrieved 2025-01-20) (CAS RN: 59626-92-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H48N4O2/c1-5-23-15-22-16-32-37-28(13-14-44(20-22)39(23)32)27-12-11-25(17-34(27)42-37)30-18-29-24(6-2)21-43(3)35(36(29)40(45)46-4)19-31-26-9-7-8-10-33(26)41-38(30)31/h6-12,17,22-23,29-30,32,35-36,39,41-42H,5,13-16,18-21H2,1-4H3/b24-6-/t22-,23+,29-,30-,32+,35+,36+,39+/m1/s1

InChIKey

InChIKey=MTARGWPMLJBYNG-WNXMTJKFSA-N

SMILES

C(C)[C@@H]1[C@]2([C@@]3(C4=C(C=5C(N4)=CC(=CC5)[C@@H]6C7=C(C=8C(N7)=CC=CC8)C[C@]9([C@@H](C(OC)=O)[C@](C6)(/C(=C\C)/CN9C)[H])[H])CC[N@]2C[C@@](C3)(C1)[H])[H])[H]

Canonical SMILES

O=C(OC)C1C2C(=CC)CN(C)C1CC=3C=4C=CC=CC4NC3C(C=5C=CC6=C(C5)NC7=C6CCN8CC9CC7C8C(CC)C9)C2

Other Names for this Substance

  • Vobasan-17-oic acid, 3-ibogamin-13-yl-, methyl ester, (3α)-
  • 2,6-Methano-1H-azecino[5,4-b]indole, vobasan-17-oic acid deriv.
  • Ibogamine, vobasan-17-oic acid deriv.
  • 6,9-Methano-5H-pyrido[1′,2′:1,2]azepino[4,5-b]indole, vobasan-17-oic acid deriv.
  • Tabernamine