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Substance Name: Butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, monoammonium salt
RN: 112997-71-4
InChIKey: PJTSBQRUAGJNLY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-N2-O6-S.H3-N

Molecular Weight

  • 331.347
 
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Names and Synonyms

Synonyms

  • 4-((4-((Acetylamino)sulfonyl)phenyl)amino)-4-oxobutanoic acid monoammonium salt
  • Succinanilic acid, 4'-(acetylsulfamoyl)-, monoammonium salt

Systematic Name

  • Butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, monoammonium salt

Registry Numbers

CAS Registry Number

  • 112997-71-4

System Generated Number

  • 0112997714

Molecular Formulas

Molecular Formula

  • C12-H14-N2-O6-S.H3-N

Molecular Formula Fragments

  • C12-H14-N2-O6-S
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C12H14N2O6S.H3N/c1-8(15)14-21(19,20)10-4-2-9(3-5-10)13-11(16)6-7-12(17)18;/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)(H,17,18);1H3

InChIKey

PJTSBQRUAGJNLY-UHFFFAOYSA-N

Smiles

c1(S(NC(C)=O)(=O)=O)ccc(NC(CCC(=O)[O-])=O)cc1.[NH4+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 133mg/kg (133mg/kg)   Farmatsevtichnii Zhurnal Vol. (5), Pg. 39, 1987.