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Substance Name: Hexanoic acid, 6-(((5-chloro-2-methoxy-4-nitrophenyl)sulfonyl)amino)-
RN: 85844-91-3
InChIKey: XYSHWISBMPZONQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-Cl-N2-O7-S

Molecular Weight

  • 380.8033
 
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Names and Synonyms

Synonym

  • 6-(((5-Chloro-2-methoxy-4-nitrophenyl)sulfonyl)amino)hexanoic acid

Systematic Name

  • Hexanoic acid, 6-(((5-chloro-2-methoxy-4-nitrophenyl)sulfonyl)amino)-

Registry Numbers

CAS Registry Number

  • 85844-91-3

System Generated Number

  • 0085844913

Structure Descriptors

InChI

1S/C13H17ClN2O7S/c1-23-11-8-10(16(19)20)9(14)7-12(11)24(21,22)15-6-4-2-3-5-13(17)18/h7-8,15H,2-6H2,1H3,(H,17,18)

InChIKey

XYSHWISBMPZONQ-UHFFFAOYSA-N

Smiles

COc1cc(c(cc1S(=O)(=O)NCCCCCC(=O)O)Cl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1760mg/kg (1760mg/kg)   United States Patent Document. Vol. #4613618,