Heyneanine
CAS Registry Number®
4865-78-5
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CAS Name
HeyneanineMolecular Formula
C21H26N2O3Molecular Mass
354.44Cite 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 ) (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-MQMUSFOKSA-N
SMILES
C(OC)(=O)[C@]12[C@]3([N@](CC(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
