Tabernanthine

CAS Registry Number®

83-94-3
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CAS Name

Tabernanthine

Molecular Formula

C20H26N2O

Molecular Mass

310.43

Cite this Page

Tabernanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83-94-3 (retrieved 2024-04-25) (CAS RN: 83-94-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160 °C

  • Melting Point (1)

    214 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12?,13-,17-,20-/m0/s1

InChIKey

InChIKey=UCIDWKVIQZIKEK-RPZDFXSQSA-N

SMILES

C(C)[C@@H]1[C@]2([C@@]3(C4=C(C=5C(N4)=CC(OC)=CC5)CC[N@]2CC(C3)(C1)[H])[H])[H]

Canonical SMILES

O(C=1C=CC2=C(C1)NC3=C2CCN4CC5CC3C4C(CC)C5)C

Other Names for this Substance

  • Ibogamine, 13-methoxy-
  • Tabernanthine
  • 6,9-Methano-5H-pyrido[1′,2′:1,2]azepino[4,5-b]indole, ibogamine deriv.
  • 13-Methoxyibogamine
  • Tabernanthin

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