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Substance Name: Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro-
RN: 72020-11-2
InChIKey: GKWAOCARIKELOU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H13-Cl-N2-O6-S

Molecular Weight

  • 384.795
 
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Names and Synonyms

Synonym

  • 3-(Aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitrobenzoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72020-11-2

System Generated Number

  • 0072020112

Structure Descriptors

InChI

1S/C15H13ClN2O6S/c16-11-4-1-9(2-5-11)3-6-12-13(18(21)22)7-10(15(19)20)8-14(12)25(17,23)24/h1-2,4-5,7-8H,3,6H2,(H,19,20)(H2,17,23,24)

InChIKey

GKWAOCARIKELOU-UHFFFAOYSA-N

Smiles

c1(c(cc(C(O)=O)cc1[N+](=O)[O-])S(N)(=O)=O)CCc1ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 261mg/kg (261mg/kg) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 88, 1979.