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Substance Name: Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-isopropyl-6-methyl-, hydrochloride
RN: 16662-27-4
InChIKey: TWVSAYFTAHJHBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-Cl-N-S.Cl-H

Molecular Weight

  • 318.31
 
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Names and Synonyms

Synonym

  • N-(2-Chloroethyl)-N-isopropyl-6-methylbenzo(b)thiophene-3-methylamine hydrochloride

Systematic Name

  • Benzo(b)thiophene-3-methylamine, N-(2-chloroethyl)-N-isopropyl-6-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 16662-27-4

System Generated Number

  • 0016662274

Molecular Formulas

Molecular Formula

  • C15-H20-Cl-N-S.Cl-H

Molecular Formula Fragments

  • C15-H20-Cl-N-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H20ClNS.ClH/c1-11(2)17(7-6-16)9-13-10-18-15-8-12(3)4-5-14(13)15;/h4-5,8,10-11H,6-7,9H2,1-3H3;1H

InChIKey

TWVSAYFTAHJHBY-UHFFFAOYSA-N

Smiles

c12c(c(cs1)C[N@@](C(C)C)CCCl)ccc(c2)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (5), Pg. 514, 1968.