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Substance Name: Benzoic acid, 3-(aminosulfonyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-5-nitro-
RN: 72020-10-1
InChIKey: GFOUGESPSIMSHF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N2-O8-S

Molecular Weight

  • 410.4012
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72020-10-1

System Generated Number

  • 0072020101

Structure Descriptors

InChI

1S/C17H18N2O8S/c1-26-14-6-4-10(7-15(14)27-2)3-5-12-13(19(22)23)8-11(17(20)21)9-16(12)28(18,24)25/h4,6-9H,3,5H2,1-2H3,(H,20,21)(H2,18,24,25)

InChIKey

GFOUGESPSIMSHF-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)CCc2c(cc(cc2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

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.