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Substance Name: 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-(2-(4-chlorophenyl)ethyl)-
RN: 72020-21-4
InChIKey: KBIGFUOLZNQEKD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-Cl-N3-O4-S

Molecular Weight

  • 379.8226
 
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Names and Synonyms

Synonyms

  • 5-25-09-00242 (Beilstein Handbook Reference)
  • 7-(Aminosulfonyl)-1-(2-(4-chlorophenyl)ethyl)-1H-benzimidazole-5-carboxylic acid
  • BRN 0942253

Systematic Name

  • 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-(2-(4-chlorophenyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 72020-21-4

System Generated Number

  • 0072020214

Structure Descriptors

InChI

1S/C16H14ClN3O4S/c17-12-3-1-10(2-4-12)5-6-20-9-19-13-7-11(16(21)22)8-14(15(13)20)25(18,23)24/h1-4,7-9H,5-6H2,(H,21,22)(H2,18,23,24)

InChIKey

KBIGFUOLZNQEKD-UHFFFAOYSA-N

Smiles

c1cc(ccc1CCn2cnc3c2c(cc(c3)C(=O)O)S(=O)(=O)N)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 88, 1979.