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Substance Name: 1H-Benzimidazole, 2-(hexahydro-1H-azepin-1-yl)-1-(3-thietanyl)-, monohydrochloride
RN: 182193-14-2
InChIKey: DILWGHXCUGFVBR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N3-S.Cl-H

Molecular Weight

  • 323.8898
 
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Names and Synonyms

Synonyms

  • 2-(Hexahydro-1H-azepin-1-yl)-1-(3-thietanyl)-1H-benzimidazole monohydrochloride
  • 2-Perhydroazepino-1-(thietan-3-yl)benzimidazole hydrochloride

Systematic Name

  • 1H-Benzimidazole, 2-(hexahydro-1H-azepin-1-yl)-1-(3-thietanyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 182193-14-2

System Generated Number

  • 0182193142

Molecular Formulas

Molecular Formula

  • C16-H21-N3-S.Cl-H

Molecular Formula Fragments

  • C16-H21-N3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21N3S.ClH/c1-2-6-10-18(9-5-1)16-17-14-7-3-4-8-15(14)19(16)13-11-20-12-13;/h3-4,7-8,13H,1-2,5-6,9-12H2;1H

InChIKey

DILWGHXCUGFVBR-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(n2C3CSC3)N4CCCCCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 338mg/kg (338mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 448, 1996.