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Substance Name: Benzo(b)thiophene-3-methylamine, 5-bromo-N-(2-chloroethyl)-N-isopropyl-, hydrochloride
RN: 16584-08-0
InChIKey: NQXHBIHBKWFIHN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-Br-Cl-N-S.Cl-H

Molecular Weight

  • 383.179
 
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Names and Synonyms

Synonyms

  • 5-Bromo-N-(2-chloroethyl)-N-isopropylbenzo(b)thiophene-3-methylamine hydrochloride
  • Benzo(b)thiophene-3-methanamine, 5-bromo-N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride

Systematic Name

  • Benzo(b)thiophene-3-methylamine, 5-bromo-N-(2-chloroethyl)-N-isopropyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 16584-08-0

System Generated Number

  • 0016584080

Molecular Formulas

Molecular Formula

  • C14-H17-Br-Cl-N-S.Cl-H

Molecular Formula Fragments

  • C14-H17-Br-Cl-N-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H17BrClNS.ClH/c1-10(2)17(6-5-16)8-11-9-18-14-4-3-12(15)7-13(11)14;/h3-4,7,9-10H,5-6,8H2,1-2H3;1H

InChIKey

NQXHBIHBKWFIHN-UHFFFAOYSA-N

Smiles

c12c(c(cs1)C[N@@](C(C)C)CCCl)cc(cc2)Br.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. 518, 1968.