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Substance Name: Hexanoic acid, 6-(((3-nitrophenyl)sulfonyl)amino)-
RN: 33317-48-5
InChIKey: QWFGODBVEMONPJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-N2-O6-S

Molecular Weight

  • 316.332
 
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Names and Synonyms

Synonym

  • 6-(((3-Nitrophenyl)sulfonyl)amino)hexanoic acid

Systematic Name

  • Hexanoic acid, 6-(((3-nitrophenyl)sulfonyl)amino)-

Registry Numbers

CAS Registry Number

  • 33317-48-5

System Generated Number

  • 0033317485

Structure Descriptors

InChI

1S/C12H16N2O6S/c15-12(16)7-2-1-3-8-13-21(19,20)11-6-4-5-10(9-11)14(17)18/h4-6,9,13H,1-3,7-8H2,(H,15,16)

InChIKey

QWFGODBVEMONPJ-UHFFFAOYSA-N

Smiles

C(CCCCCNS(=O)(=O)c1cc(ccc1)[N+](=O)[O-])(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 930mg/kg (930mg/kg)   United States Patent Document. Vol. #4613618,