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Substance Name: Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with 2-aminoethanol (1:1)
RN: 112997-63-4
InChIKey: FXYHGTVBJIPRAV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N2-O5-S.C2-H7-N-O

Molecular Weight

  • 333.363
 
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Names and Synonyms

Synonym

  • 4-((4-(Aminosulfonyl)phenyl)amino)-4-oxobutanoic acid compd. with 2-aminoethanol (1:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112997-63-4

System Generated Number

  • 0112997634

Molecular Formulas

Molecular Formula

  • C10-H12-N2-O5-S.C2-H7-N-O

Molecular Formula Fragments

  • C10-H12-N2-O5-S
  • C2-H7-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C10H12N2O5S.C2H7NO/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15;3-1-2-4/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17);4H,1-3H2

InChIKey

FXYHGTVBJIPRAV-UHFFFAOYSA-N

Smiles

c1(ccc(NC(CCC(=O)[O-])=O)cc1)S(N)(=O)=O.C(C[NH3+])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 205mg/kg (205mg/kg)   Farmatsevtichnii Zhurnal Vol. (5), Pg. 39, 1987.