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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, hydrate, trans- (1:1:1)
RN: 40400-44-0
InChIKey: KFCSNDPJFSVSET-OGPPPPIKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-Cl-N-O2.Cl-H.H2-O

Molecular Weight

  • 382.328
 
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Names and Synonyms

Synonym

  • trans-4-Phenyl-5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin HCl hydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40400-44-0

System Generated Number

  • 0040400440

Molecular Formulas

Molecular Formula

  • C20-H24-Cl-N-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C20-H24-Cl-N-O2
  • Cl-H
  • COMPONENT
  • H2-O

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-OGPPPPIKSA-N

Smiles

N(CCO[C@@H]1[C@H](CCOc2c1ccc(c2)Cl)c1ccccc1)(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 47mg/kg (47mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 2081, 1972.