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Substance Name: Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-2-fluoro-11-methyl-, hydrochloride, (4bS-(4b-alpha,6-beta,9-beta,9a-alpha))-
RN: 53758-02-4
InChIKey: ONAYRCCCIHMAGX-ITSMBNTESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-F-N.Cl-H

Molecular Weight

  • 267.773
 
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Names and Synonyms

  • Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-2-fluoro-11-methyl-, hydrochloride, (4bS-(4b-alpha,6-beta,9-beta,9a-alpha))-

Registry Numbers

CAS Registry Number

  • 53758-02-4

System Generated Number

  • 0053758024

Molecular Formulas

Molecular Formula

  • C15-H18-F-N.Cl-H

Molecular Formula Fragments

  • C15-H18-F-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18FN.ClH/c1-17-11-3-5-15(17)14-7-9-6-10(16)2-4-12(9)13(14)8-11;/h2,4,6,11,13-15H,3,5,7-8H2,1H3;1H/t11?,13-,14+,15+;/m1./s1

InChIKey

ONAYRCCCIHMAGX-ITSMBNTESA-N

Smiles

c12[C@@H]3[C@@H]([C@H]4[N@H+](C)[C@H](C3)CC4)Cc1cc(F)cc2.[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.