Vallesamine

CAS Registry Number®

3368-87-4
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CAS Name

Vallesamine

Molecular Formula

C20H24N2O3

Molecular Mass

340.42

Cite this Page

Vallesamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3368-87-4 (retrieved 2024-04-28) (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

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