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Substance Name: 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-piperidino-, hydrochloride, (E)-
RN: 56071-24-0
InChIKey: VMCNJWIZXJSWKB-NBLXOJGSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N-O2.Cl-H

Molecular Weight

  • 311.85
 
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Names and Synonyms

Synonyms

  • trans-4-(1-Piperidino)-7,8-dimethyl-2,3,4,5-tetrahydro-1(2H)-benzoxepin-5-ol hydrochloride
  • trans-7,8-Dimethyl-4-piperidino-2,3,4,5-tetrahydro-1-benzoxepin-5-ol hydrochloride

Systematic Name

  • 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-piperidino-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 56071-24-0

System Generated Number

  • 0056071240

Molecular Formulas

Molecular Formula

  • C17-H25-N-O2.Cl-H

Molecular Formula Fragments

  • C17-H25-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25NO2.ClH/c1-12-10-14-16(11-13(12)2)20-9-6-15(17(14)19)18-7-4-3-5-8-18;/h10-11,15,17,19H,3-9H2,1-2H3;1H/t15-,17-;/m0./s1

InChIKey

VMCNJWIZXJSWKB-NBLXOJGSSA-N

Smiles

c12c(cc(C)c(c2)C)OCC[C@@H]([C@H]1O)[NH+]1CCCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Indian Journal of Chemistry. Vol. 13, Pg. 1, 1975.