Heyneanine

CAS Registry Number®

4865-78-5

CAS Name

Heyneanine

Molecular Formula

C21H26N2O3

Molecular Mass

354.44

Cite this Page

Heyneanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4865-78-5 (retrieved 2024-11-25) (CAS RN: 4865-78-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160-161 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H26N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,12-13,16,19,22,24H,7-11H2,1-2H3/t12-,13+,16-,19-,21+/m0/s1

InChIKey

InChIKey=VGDQBNXQAOYMPS-CFWLMFDNSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Ibogamine-18-carboxylic acid, 20-hydroxy-, methyl ester, (4α,20S)-
  • Heyneanine
  • (-)-Heyneanine
  • Heyneanin
  • NSC 306218

Deleted or Replaced CAS Registry Numbers

100657-71-4

CAS INSIGHTSTM
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