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Substance Name: Butanoic acid, 4-(((5-chloro-2-methoxy-4-nitrophenyl)sulfonyl)amino)-
RN: 85844-94-6
InChIKey: ISUOIEGTMWMFIW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-Cl-N2-O7-S

Molecular Weight

  • 352.7497
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85844-94-6

System Generated Number

  • 0085844946

Structure Descriptors

InChI

1S/C11H13ClN2O7S/c1-21-9-6-8(14(17)18)7(12)5-10(9)22(19,20)13-4-2-3-11(15)16/h5-6,13H,2-4H2,1H3,(H,15,16)

InChIKey

ISUOIEGTMWMFIW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3070mg/kg (3070mg/kg)   United States Patent Document. Vol. #4613618,