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Substance Name: Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with 4,5-dihydro-2-thiazolamine (1:1)
RN: 171088-77-0
InChIKey: LMCSSVHPMMTPCU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N2-O5-S.C3-H6-N2-S

Molecular Weight

  • 374.4402
 
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Names and Synonyms

  • Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with 4,5-dihydro-2-thiazolamine (1:1)

Registry Numbers

CAS Registry Number

  • 171088-77-0

System Generated Number

  • 0171088770

Molecular Formulas

Molecular Formula

  • C10-H12-N2-O5-S.C3-H6-N2-S

Molecular Formula Fragments

  • C10-H12-N2-O5-S
  • C3-H6-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C10H12N2O5S.C3H6N2S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15;4-3-5-1-2-6-3/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17);1-2H2,(H2,4,5)

InChIKey

LMCSSVHPMMTPCU-UHFFFAOYSA-N

Smiles

c1cc(ccc1NC(=O)CCC(=O)O)S(=O)(=O)N.C1CSC(=N1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 475mg/kg (475mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 262, 1995.