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Substance Name: Carbamimidothioic acid, 8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl ester, hydrochloride,hydrate (1:1:1)
RN: 69195-78-4
InChIKey: CXZMSYAHZUOULM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H13-Cl-N2-S2.Cl-H.H2-O

Molecular Weight

  • 357.328
 
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Names and Synonyms

Synonyms

  • S-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)isothiuronium chloride monohydrate
  • VUFB-10109

Systematic Name

  • Carbamimidothioic acid, 8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl ester, hydrochloride,hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 69195-78-4

System Generated Number

  • 0069195784

Molecular Formulas

Molecular Formula

  • C15-H13-Cl-N2-S2.Cl-H.H2-O

Molecular Formula Fragments

  • C15-H13-Cl-N2-S2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C15H13ClN2S2.ClH/c16-10-5-6-13-11(8-10)14(20-15(17)18)7-9-3-1-2-4-12(9)19-13;/h1-6,8,14H,7H2,(H3,17,18);1H

InChIKey

CXZMSYAHZUOULM-UHFFFAOYSA-N

Smiles

c12c(Sc3ccccc3C[C@@H]1SC(N)=[NH+])ccc(c2)Cl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 43, Pg. 2427, 1978.