Isbogrel

CAS Registry Number®

89667-40-3
No image available.

CAS Name

Isbogrel

Molecular Formula

C18H19NO2

Molecular Mass

281.35

Cite this Page

Isbogrel.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89667-40-3 (retrieved 2024-05-18) (CAS RN: 89667-40-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114-115 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+

InChIKey

InChIKey=UWPBQLKEHGGKKD-GZTJUZNOSA-N

SMILES

C(=C\CCCCC(O)=O)(\C1=CC=CC=C1)/C=2C=CC=NC2

Canonical SMILES

O=C(O)CCCCC=C(C=1C=NC=CC1)C=2C=CC=CC2

Other Names for this Substance

  • 6-Heptenoic acid, 7-phenyl-7-(3-pyridinyl)-, (6E)-
  • 6-Heptenoic acid, 7-phenyl-7-(3-pyridinyl)-, (E)-
  • (6E)-7-Phenyl-7-(3-pyridinyl)-6-heptenoic acid
  • CV 4151
  • Isbogrel

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