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Substance Name: Benzo(b)thiophene-3-methylamine, N-benzyl-5-chloro-N-(2-chloroethyl)-, hydrochloride
RN: 16584-16-0
InChIKey: BGCNIUJHTNRBPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-Cl2-N-S.Cl-H

Molecular Weight

  • 386.772
 
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Names and Synonyms

Synonyms

  • Benzo(b)thiophene-3-methanamine, 5-chloro-N-(2-chloroethyl)-N-(phenylmethyl)-, hydrochloride
  • N-Benzyl-5-chloro-N-(2-chloroethyl)benzo(b)thiophene-3-methylamine hydrochloride

Systematic Name

  • Benzo(b)thiophene-3-methylamine, N-benzyl-5-chloro-N-(2-chloroethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 16584-16-0

System Generated Number

  • 0016584160

Molecular Formulas

Molecular Formula

  • C18-H17-Cl2-N-S.Cl-H

Molecular Formula Fragments

  • C18-H17-Cl2-N-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H17Cl2NS.ClH/c19-8-9-21(11-14-4-2-1-3-5-14)12-15-13-22-18-7-6-16(20)10-17(15)18;/h1-7,10,13H,8-9,11-12H2;1H

InChIKey

BGCNIUJHTNRBPT-UHFFFAOYSA-N

Smiles

c12c(c(cs1)C[N@@](Cc1ccccc1)CCCl)cc(cc2)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (5), Pg. 518, 1968.