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Substance Name: Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-phenylethyl)-
RN: 50714-08-4
InChIKey: AFJLEYAFNPASAV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-N2-O4-S

Molecular Weight

  • 320.3674
 
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Names and Synonyms

Synonyms

  • 3-Amino-5-(aminosulfonyl)-4-(2-phenylethyl)benzoic acid
  • BRN 2769009

Systematic Name

  • Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(2-phenylethyl)-

Registry Numbers

CAS Registry Number

  • 50714-08-4

System Generated Number

  • 0050714084

Structure Descriptors

InChI

1S/C15H16N2O4S/c16-13-8-11(15(18)19)9-14(22(17,20)21)12(13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7,16H2,(H,18,19)(H2,17,20,21)

InChIKey

AFJLEYAFNPASAV-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCc2c(cc(cc2S(=O)(=O)N)C(=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.