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Substance Name: Ethanone, 2-((3-dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)methylamino)-1-phenyl-, hydrochloride, (E)-
RN: 116509-13-8
InChIKey: ARWKXPYWWMMISP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H25-N-O-S.Cl-H

Molecular Weight

  • 437.0243
 
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Names and Synonyms

Synonyms

  • (E)-2-((3-Dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)methylamino)-1-phenylethanone HCl
  • (E)-N-Methyl-N-phenacyl-3-(6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)propylamine HCl

Systematic Name

  • Ethanone, 2-((3-dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)methylamino)-1-phenyl-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 116509-13-8

System Generated Number

  • 0116509138

Molecular Formulas

Molecular Formula

  • C26-H25-N-O-S.Cl-H

Molecular Formula Fragments

  • C26-H25-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H26NOS.ClH/c1-27(18-25(28)20-10-3-2-4-11-20)17-9-15-23-22-13-6-5-12-21(22)19-29-26-16-8-7-14-24(23)26;/h2-8,10-16,26H,9,17-19H2,1H3;1H

InChIKey

ARWKXPYWWMMISP-UHFFFAOYSA-N

Smiles

CN(CCC=C1=C2C=CC=CC2SCc3c1cccc3)CC(=O)c4ccccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 205mg/kg (205mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 884, 1988.