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Substance Name: Ethanamine, 2-((8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)oxy)-N,N-dimethyl-, hydrochloride, cis-
RN: 40400-35-9
InChIKey: KFCSNDPJFSVSET-XLCHORMMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-Cl-N-O2.Cl-H

Molecular Weight

  • 382.3285
 
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Names and Synonyms

Synonym

  • cis-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride

Systematic Name

  • Ethanamine, 2-((8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)oxy)-N,N-dimethyl-, hydrochloride, cis-

Registry Numbers

CAS Registry Number

  • 40400-35-9

System Generated Number

  • 0040400359

Molecular Formulas

Molecular Formula

  • C20-H24-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C20-H24-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24ClNO2.ClH/c1-22(2)11-13-24-20-17(15-6-4-3-5-7-15)10-12-23-19-14-16(21)8-9-18(19)20;/h3-9,14,17,20H,10-13H2,1-2H3;1H/t17-,20+;/m1./s1

InChIKey

KFCSNDPJFSVSET-XLCHORMMSA-N

Smiles

CN(C)CCO[C@@H]1c2ccc(cc2OCC[C@@H]1c3ccccc3)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 32mg/kg (32mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 2081, 1972.