Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Butanoic acid, 4-((5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)amino)-4-oxo-2-sulfo-, monosodium salt
RN: 95896-15-4
InChIKey: DXGYXZFOHCMHFE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N3-O6-S2.Na

Molecular Weight

  • 345.331
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 95896-15-4

System Generated Number

  • 0095896154

Molecular Formulas

Molecular Formula

  • C9-H12-N3-O6-S2.Na

Molecular Formula Fragments

  • C9-H12-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C9H13N3O6S2.Na/c1-4(2)7-11-12-9(19-7)10-6(13)3-5(8(14)15)20(16,17)18;/h4-5H,3H2,1-2H3,(H,14,15)(H,10,12,13)(H,16,17,18);/q;+1/p-1

InChIKey

DXGYXZFOHCMHFE-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1720mg/kg (1720mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 33, 1985.