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Substance Name: Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with piperidine (1:1)
RN: 112997-61-2
InChIKey: USSSPSQADFVFCS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N2-O5-S.C5-H11-N

Molecular Weight

  • 357.429
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112997-61-2

System Generated Number

  • 0112997612

Molecular Formulas

Molecular Formula

  • C10-H12-N2-O5-S.C5-H11-N

Molecular Formula Fragments

  • C10-H12-N2-O5-S
  • C5-H11-N
  • COMPONENT

Structure Descriptors

InChI

1S/C10H12N2O5S.C5H11N/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15;1-2-4-6-5-3-1/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17);6H,1-5H2

InChIKey

USSSPSQADFVFCS-UHFFFAOYSA-N

Smiles

c1(ccc(NC(CCC(=O)[O-])=O)cc1)S(N)(=O)=O.C1CC[NH2+]CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 175mg/kg (175mg/kg)   Farmatsevtichnii Zhurnal Vol. (5), Pg. 39, 1987.