Vallesamine
CAS Registry Number®
3368-87-4
No image available.
CAS Name
VallesamineMolecular Formula
C20H24N2O3Molecular Mass
340.42Cite this Page
Vallesamine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=3368-87-4 (retrieved ) (CAS RN: 3368-87-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
162-165 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-/m0/s1
InChIKey
InChIKey=JZKSIYFJGCTTET-WBUQUAQWSA-N
SMILES
C(OC)(=O)[C@]1(CO)C2=C(C=3C(N2)=CC=CC3)C[N@]4C\C(=C\C)\[C@@]1(CC4)[H]
Canonical SMILES
O=C(OC)C1(C=2NC=3C=CC=CC3C2CN4CC(=CC)C1CC4)CO
Other Names for this Substance
- 2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester, (2R,4E,5S,6S)-
- 2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester, [5S-(4E,5α,6β)]-
- Vallesamine
- 2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester, (4E,5S,6R)-
- (+)-Vallesamine