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Substance Name: 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-(3-phenylpropyl)-
RN: 72020-22-5
InChIKey: YUQHZHVJRMAKIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N3-O4-S

Molecular Weight

  • 359.4043
 
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Names and Synonyms

Synonyms

  • 5-25-09-00242 (Beilstein Handbook Reference)
  • 7-(Aminosulfonyl)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
  • BRN 0941503

Systematic Name

  • 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-(3-phenylpropyl)-

Registry Numbers

CAS Registry Number

  • 72020-22-5

System Generated Number

  • 0072020225

Structure Descriptors

InChI

1S/C17H17N3O4S/c18-25(23,24)15-10-13(17(21)22)9-14-16(15)20(11-19-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,21,22)(H2,18,23,24)

InChIKey

YUQHZHVJRMAKIC-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCCn2cnc3c2c(cc(c3)C(=O)O)S(=O)(=O)N

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.