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Substance Name: Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(3-phenylpropyl)-
RN: 72020-12-3
InChIKey: QKZSJYYNXWOCAO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-N2-O6-S

Molecular Weight

  • 364.376
 
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Names and Synonyms

Synonym

  • 3-(Aminosulfonyl)-5-nitro-4-(3-phenylpropyl)benzoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72020-12-3

System Generated Number

  • 0072020123

Structure Descriptors

InChI

1S/C16H16N2O6S/c17-25(23,24)15-10-12(16(19)20)9-14(18(21)22)13(15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)(H2,17,23,24)

InChIKey

QKZSJYYNXWOCAO-UHFFFAOYSA-N

Smiles

c1(c(cc(C(O)=O)cc1[N+](=O)[O-])S(N)(=O)=O)CCCc1ccccc1

Toxicity

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