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Substance Name: 1H-2-Benzothiopyran-3-carboxylic acid, 1-oxo-, sodium salt
RN: 60373-41-3
InChIKey: MYORSMKGHUXBND-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H5-O3-S.Na

Molecular Weight

  • 228.2025
 
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Names and Synonyms

Synonym

  • Sodium 1-oxo-1H-2-benzothiopyran-3-carboxylate

Systematic Name

  • 1H-2-Benzothiopyran-3-carboxylic acid, 1-oxo-, sodium salt

Registry Numbers

CAS Registry Number

  • 60373-41-3

System Generated Number

  • 0060373413

Molecular Formulas

Molecular Formula

  • C10-H5-O3-S.Na

Molecular Formula Fragments

  • C10-H5-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C10H6O3S.Na/c11-9(12)8-5-6-3-1-2-4-7(6)10(13)14-8;/h1-5H,(H,11,12);/q;+1/p-1

InChIKey

MYORSMKGHUXBND-UHFFFAOYSA-M

Smiles

c1ccc2c(c1)cc(sc2=O)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 553mg/kg (553mg/kg)   United States Patent Document. Vol. #4018891,