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Substance Name: Butanoic acid, 4-((5-ethyl-1,3,4-thiadiazol-2-yl)amino)-4-oxo-2-sulfo-, monosodium salt
RN: 95896-13-2
InChIKey: JXKCEMFOTWPYJW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H10-N3-O6-S2.Na

Molecular Weight

  • 331.304
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 95896-13-2

System Generated Number

  • 0095896132

Molecular Formulas

Molecular Formula

  • C8-H10-N3-O6-S2.Na

Molecular Formula Fragments

  • C8-H10-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C8H11N3O6S2.Na/c1-2-6-10-11-8(18-6)9-5(12)3-4(7(13)14)19(15,16)17;/h4H,2-3H2,1H3,(H,13,14)(H,9,11,12)(H,15,16,17);/q;+1/p-1

InChIKey

JXKCEMFOTWPYJW-UHFFFAOYSA-M

Smiles

c1(sc(CC)nn1)NC(C[C@@H](S(=O)(=O)[O-])C(O)=O)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 33, 1985.