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Substance Name: Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-
RN: 72034-20-9
InChIKey: NHUNHZLGMJKJNV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H11-N3-O6-S

Molecular Weight

  • 289.2669
 
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Names and Synonyms

Synonyms

  • 4-(Methylamino)-3-((methylamino)sulfonyl)-5-nitrobenzoic acid
  • BRN 2172003

Systematic Name

  • Benzoic acid, 4-(methylamino)-3-((methylamino)sulfonyl)-5-nitro-

Registry Numbers

CAS Registry Number

  • 72034-20-9

System Generated Number

  • 0072034209

Structure Descriptors

InChI

1S/C9H11N3O6S/c1-10-8-6(12(15)16)3-5(9(13)14)4-7(8)19(17,18)11-2/h3-4,10-11H,1-2H3,(H,13,14)

InChIKey

NHUNHZLGMJKJNV-UHFFFAOYSA-N

Smiles

CNc1c(cc(cc1S(=O)(=O)NC)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.