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Substance Name: Butanoic acid, 4-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxo-2-sulfo-, monosodium salt
RN: 95896-16-5
InChIKey: XOSNHIKRYDBMER-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N3-O6-S2.Na

Molecular Weight

  • 359.358
 
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Names and Synonyms

Synonym

  • 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxo-2-sulfobutanoic acid sodium salt

Systematic Name

  • Butanoic acid, 4-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxo-2-sulfo-, monosodium salt

Registry Numbers

CAS Registry Number

  • 95896-16-5

System Generated Number

  • 0095896165

Molecular Formulas

Molecular Formula

  • C10-H14-N3-O6-S2.Na

Molecular Formula Fragments

  • C10-H14-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C10H15N3O6S2.Na/c1-2-3-4-8-12-13-10(20-8)11-7(14)5-6(9(15)16)21(17,18)19;/h6H,2-5H2,1H3,(H,15,16)(H,11,13,14)(H,17,18,19);/q;+1/p-1

InChIKey

XOSNHIKRYDBMER-UHFFFAOYSA-M

Smiles

C([C@@H](S(=O)(=O)[O-])C(O)=O)C(Nc1sc(CCCC)nn1)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 33, 1985.