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Substance Name: Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with 2-(dimethylamino)ethanol (1:1)
RN: 112997-66-7
InChIKey: UOOFZXVHSVBNBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N2-O5-S.C4-H11-N-O

Molecular Weight

  • 361.417
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 112997-66-7

System Generated Number

  • 0112997667

Molecular Formulas

Molecular Formula

  • C10-H12-N2-O5-S.C4-H11-N-O

Molecular Formula Fragments

  • C10-H12-N2-O5-S
  • C4-H11-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C10H12N2O5S.C4H11NO/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15;1-5(2)3-4-6/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17);6H,3-4H2,1-2H3

InChIKey

UOOFZXVHSVBNBQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 395mg/kg (395mg/kg)   Farmatsevtichnii Zhurnal Vol. (5), Pg. 39, 1987.