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Substance Name: 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-
RN: 86628-19-5
InChIKey: HVYXTFLDGCJFSB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-O3-S

Molecular Weight

  • 236.2898
 
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Names and Synonyms

Synonyms

  • 3,4-Dihydro-6-methyl-4-oxo-2H-1-benzothiopyran-2-acetic acid
  • BRN 4452185

Systematic Name

  • 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-

Registry Numbers

CAS Registry Number

  • 86628-19-5

System Generated Number

  • 0086628195

Structure Descriptors

InChI

1S/C12H12O3S/c1-7-2-3-11-9(4-7)10(13)5-8(16-11)6-12(14)15/h2-4,8H,5-6H2,1H3,(H,14,15)

InChIKey

HVYXTFLDGCJFSB-UHFFFAOYSA-N

Smiles

Cc1ccc2c(c1)C(=O)CC(S2)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 300, 1983.