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Substance Name: 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-2-methyl-1-(2-phenylethyl)-
RN: 72020-30-5
InChIKey: CIFXRYKBUARAAB-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)-2-methyl-1-(2-phenylethyl)-1H-benzimidazole-5-carboxylic acid
  • BRN 0940674

Systematic Name

  • 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-2-methyl-1-(2-phenylethyl)-

Registry Numbers

CAS Registry Number

  • 72020-30-5

System Generated Number

  • 0072020305

Structure Descriptors

InChI

1S/C17H17N3O4S/c1-11-19-14-9-13(17(21)22)10-15(25(18,23)24)16(14)20(11)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,21,22)(H2,18,23,24)

InChIKey

CIFXRYKBUARAAB-UHFFFAOYSA-N

Smiles

Cc1nc2cc(cc(c2n1CCc3ccccc3)S(=O)(=O)N)C(=O)O

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.