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Substance Name: Benzo(b)thiophene-3-methylamine, 5-bromo-N-tert-butyl-N-(2-chloroethyl)-, hydrochloride
RN: 17512-51-5
InChIKey: FZXQWGZEHGTHQQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-Br-Cl-N-S.Cl-H

Molecular Weight

  • 397.206
 
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Names and Synonyms

Synonyms

  • 5-Bromo-N-tert-butyl-N-(2-chloroethyl)benzo(b)thiophene-3-methylamine hydrochloride
  • Benzo(b)thiophene-3-methanamine, 5-bromo-N-(2-chloroethyl)-N-(1,1-dimethylethyl)-, HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 17512-51-5

System Generated Number

  • 0017512515

Molecular Formulas

Molecular Formula

  • C15-H19-Br-Cl-N-S.Cl-H

Molecular Formula Fragments

  • C15-H19-Br-Cl-N-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H19BrClNS.ClH/c1-2-3-7-18(8-6-17)10-12-11-19-15-5-4-13(16)9-14(12)15;/h4-5,9,11H,2-3,6-8,10H2,1H3;1H

InChIKey

FZXQWGZEHGTHQQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (5), Pg. 518, 1968.