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Substance Name: Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-, monosodium salt
RN: 95896-12-1
InChIKey: WSWCMPZXSQVPCI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H6-N3-O6-S2.Na

Molecular Weight

  • 303.25
 
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Names and Synonyms

Synonym

  • 4-Oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid sodium salt

Systematic Name

  • Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 95896-12-1

System Generated Number

  • 0095896121

Molecular Formulas

Molecular Formula

  • C6-H6-N3-O6-S2.Na

Molecular Formula Fragments

  • C6-H6-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C6H7N3O6S2.Na/c10-4(8-6-9-7-2-16-6)1-3(5(11)12)17(13,14)15;/h2-3H,1H2,(H,11,12)(H,8,9,10)(H,13,14,15);/q;+1/p-1

InChIKey

WSWCMPZXSQVPCI-UHFFFAOYSA-M

Smiles

C([C@@H](S(=O)(=O)[O-])C(O)=O)C(Nc1nncs1)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 33, 1985.