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Substance Name: Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride
RN: 7349-45-3
InChIKey: SHJSEQUNRLPPOL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-Cl-N-S.Cl-H

Molecular Weight

  • 290.256
 
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Names and Synonyms

Synonyms

  • N-(2-Chloroethyl)-N-ethylbenzo(b)thiophene-3-methylamine hydrochloride
  • NSC 84019

Systematic Names

  • Benzo(b)thiophene-3-methanamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride (9CI)
  • Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 7349-45-3

System Generated Number

  • 0007349453

Molecular Formulas

Molecular Formula

  • C13-H16-Cl-N-S.Cl-H

Molecular Formula Fragments

  • C13-H16-Cl-N-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H16ClNS.ClH/c1-2-15(8-7-14)9-11-10-16-13-6-4-3-5-12(11)13;/h3-6,10H,2,7-9H2,1H3;1H

InChIKey

SHJSEQUNRLPPOL-UHFFFAOYSA-N

Smiles

c12c(C[N@@H+](CCCl)CC)csc1cccc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 819, 1966.