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Substance Name: Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-5-methyl-, hydrochloride
RN: 16662-24-1
InChIKey: TVUOBGRSEXHMSE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-Cl-N-S.Cl-H

Molecular Weight

  • 332.337
 
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Names and Synonyms

Synonym

  • N-tert-Butyl-N-(2-chloroethyl)-5-methylbenzo(b)thiophene-3-methylamine hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 16662-24-1

System Generated Number

  • 0016662241

Molecular Formulas

Molecular Formula

  • C16-H22-Cl-N-S.Cl-H

Molecular Formula Fragments

  • C16-H22-Cl-N-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22ClNS.ClH/c1-12-5-6-15-14(9-12)13(11-19-15)10-18(8-7-17)16(2,3)4;/h5-6,9,11H,7-8,10H2,1-4H3;1H

InChIKey

TVUOBGRSEXHMSE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (5), Pg. 514, 1968.