Ibogaline

CAS Registry Number®

482-18-8
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CAS Name

Ibogaline

Molecular Formula

C21H28N2O2

Molecular Mass

340.46

Cite this Page

Ibogaline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=482-18-8 (retrieved 2024-04-20) (CAS RN: 482-18-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    136-137 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28N2O2/c1-4-13-7-12-8-16-20-14(5-6-23(11-12)21(13)16)15-9-18(24-2)19(25-3)10-17(15)22-20/h9-10,12-13,16,21-22H,4-8,11H2,1-3H3/t12?,13-,16-,21-/m0/s1

InChIKey

InChIKey=VLOWUTVRYMTRJO-NDERLWPNSA-N

SMILES

C(C)[C@@H]1[C@]2([C@@]3(C4=C(C=5C(N4)=CC(OC)=C(OC)C5)CC[N@]2CC(C3)(C1)[H])[H])[H]

Canonical SMILES

O(C1=CC=2NC3=C(C2C=C1OC)CCN4CC5CC3C4C(CC)C5)C

Other Names for this Substance

  • Ibogamine, 12,13-dimethoxy-
  • Ibogaline
  • 12,13-Dimethoxyibogamine
  • Decarbomethoxyconopharyngine
  • Methoxyibogaine

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Deleted or Replaced CAS Registry Numbers

83-96-5

CAS INSIGHTSTM
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