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Substance Name: Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-11-(cyclopropylmethyl)-, hydrochloride, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-
RN: 53758-08-0
InChIKey: OOQXRIOELKPZDE-YHAQJKSSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N.Cl-H

Molecular Weight

  • 289.848
 
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Names and Synonyms

  • Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-11-(cyclopropylmethyl)-, hydrochloride, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha))-

Registry Numbers

CAS Registry Number

  • 53758-08-0

System Generated Number

  • 0053758080

Molecular Formulas

Molecular Formula

  • C18-H23-N.Cl-H

Molecular Formula Fragments

  • C18-H23-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23N.ClH/c1-2-4-15-13(3-1)9-17-16(15)10-14-7-8-18(17)19(14)11-12-5-6-12;/h1-4,12,14,16-18H,5-11H2;1H/t14?,16-,17+,18+;/m1./s1

InChIKey

OOQXRIOELKPZDE-YHAQJKSSSA-N

Smiles

C1[C@H]2[C@@H](c3ccccc13)C[C@@H]1[N@H+]([C@@H]2CC1)CC1CC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo subcutaneous 120mg/kg (120mg/kg) GASTROINTESTINAL: RELAXATION (ISOLATED TISSUE) Journal of Medicinal Chemistry. Vol. 17, Pg. 1040, 1974.