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Substance Name: 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-
RN: 72020-29-2
InChIKey: BHRDCJLHZXVLMH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N3-O4-S

Molecular Weight

  • 311.3603
 
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Names and Synonyms

Synonyms

  • 5-25-09-00242 (Beilstein Handbook Reference)
  • 7-(Aminosulfonyl)-1-butyl-2-methyl-1H-benzimidazole-5-carboxylic acid
  • BRN 0932143

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72020-29-2

System Generated Number

  • 0072020292

Structure Descriptors

InChI

1S/C13H17N3O4S/c1-3-4-5-16-8(2)15-10-6-9(13(17)18)7-11(12(10)16)21(14,19)20/h6-7H,3-5H2,1-2H3,(H,17,18)(H2,14,19,20)

InChIKey

BHRDCJLHZXVLMH-UHFFFAOYSA-N

Smiles

CCCCn1c(nc2c1c(cc(c2)C(=O)O)S(=O)(=O)N)C

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.