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Substance Name: 2H-Thiopyran-5-carboxylic acid, 3-benzyl-4-hydroxy-2-oxo-6-phenyl-
RN: 19436-54-5
InChIKey: PMDPYWKTZSHTEZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H14-O4-S

Molecular Weight

  • 338.382
 
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Names and Synonyms

Synonyms

  • 3-Benzyl-4-hydroxy-2-oxo-6-phenyl-2H-thiopyran-5-carboxylic acid
  • 3-Benzyl-4-hydroxy-5-karboxy-6-phenyl-thia-alpha-pyron
  • 3-Benzyl-4-hydroxy-5-karboxy-6-phenyl-thia-alpha-pyron [German]

Systematic Name

  • 2H-Thiopyran-5-carboxylic acid, 3-benzyl-4-hydroxy-2-oxo-6-phenyl-

Registry Numbers

CAS Registry Number

  • 19436-54-5

System Generated Number

  • 0019436545

Structure Descriptors

InChI

1S/C19H14O4S/c20-16-14(11-12-7-3-1-4-8-12)19(23)24-17(15(16)18(21)22)13-9-5-2-6-10-13/h1-10,20H,11H2,(H,21,22)

InChIKey

PMDPYWKTZSHTEZ-UHFFFAOYSA-N

Smiles

c1(c(c(c(c(s1)c1ccccc1)C(=O)O)O)Cc1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 625mg/kg (625mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Acta Biologica et Medica Germanica. Vol. 21, Pg. 359, 1968.