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Substance Name: 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-
RN: 86628-18-4
InChIKey: WSBIMPCUMHJQCO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H10-O3-S

Molecular Weight

  • 222.263
 
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Names and Synonyms

Synonyms

  • 1-Thio-4-chromanone-2-acetic acid
  • 3,4-Dihydro-4-oxo-2H-1-benzothiopyran-2-acetic acid
  • BRN 4447370

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86628-18-4

System Generated Number

  • 0086628184

Structure Descriptors

InChI

1S/C11H10O3S/c12-9-5-7(6-11(13)14)15-10-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,13,14)

InChIKey

WSBIMPCUMHJQCO-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(=O)CC(S2)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 791mg/kg (791mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 300, 1983.