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Substance Name: Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)-
RN: 50714-07-3
InChIKey: AXVWZQZFQXSHIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-N2-O6-S

Molecular Weight

  • 350.35
 
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Names and Synonyms

Synonyms

  • 3-(Aminosulfonyl)-5-nitro-4-(2-phenylethyl)benzoic acid
  • BRN 2782031

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50714-07-3

System Generated Number

  • 0050714073

Structure Descriptors

InChI

1S/C15H14N2O6S/c16-24(22,23)14-9-11(15(18)19)8-13(17(20)21)12(14)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)(H2,16,22,23)

InChIKey

AXVWZQZFQXSHIR-UHFFFAOYSA-N

Smiles

c1(c(cc(C(O)=O)cc1[N+](=O)[O-])S(N)(=O)=O)CCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 464mg/kg (464mg/kg) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 88, 1979.