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Substance Name: 2H-Thiopyran-5-carboxylic acid, 3-benzyl-4-hydroxy-6-methyl-2-oxo-, ethyl ester
RN: 20076-79-3
InChIKey: YNMZTGZRVBINJN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-O4-S

Molecular Weight

  • 304.364
 
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Names and Synonyms

Synonyms

  • 3-Benzyl-4-hydroxy-5-carbaethoxy-6-methyl-thia-alpha-pyron
  • 3-Benzyl-4-hydroxy-5-carbaethoxy-6-methyl-thia-alpha-pyron [German]
  • 3-Benzyl-4-hydroxy-6-methyl-2-oxo-2H-thiopyran-5-carboxylic acid ethyl ester
  • SV 1

Systematic Name

  • 2H-Thiopyran-5-carboxylic acid, 3-benzyl-4-hydroxy-6-methyl-2-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 20076-79-3

System Generated Number

  • 0020076793

Structure Descriptors

InChI

1S/C16H16O4S/c1-3-20-15(18)13-10(2)21-16(19)12(14(13)17)9-11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3

InChIKey

YNMZTGZRVBINJN-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Biologica et Medica Germanica. Vol. 12, Pg. 704, 1964.