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Substance Name: Carbamimidothioic acid, 6,11-dihydrodibenzo(b,e)thiepin-11-yl ester, monohydrochloride
RN: 73150-16-0
InChIKey: BMJXLWFWLVGIME-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-N2-S2.Cl-H

Molecular Weight

  • 322.883
 
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Names and Synonyms

Synonyms

  • S-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)isothiourea hydrochloride
  • VUFB-10068

Systematic Name

  • Carbamimidothioic acid, 6,11-dihydrodibenzo(b,e)thiepin-11-yl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 73150-16-0

System Generated Number

  • 0073150160

Molecular Formulas

Molecular Formula

  • C15-H14-N2-S2.Cl-H

Molecular Formula Fragments

  • C15-H14-N2-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H14N2S2.ClH/c16-15(17)19-14-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)14;/h1-8,14H,9H2,(H3,16,17);1H

InChIKey

BMJXLWFWLVGIME-UHFFFAOYSA-N

Smiles

c12[C@@H](c3c(cccc3)SCc1cccc2)SC(N)=[NH+].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1250mg/kg (1250mg/kg) BEHAVIORAL: EXCITEMENT Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 2689, 1979.