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Substance Name: Benzenecarbothioic acid, 4-methyl-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl ester
RN: 98163-67-8
InChIKey: DGFFOHDAWJOUDP-ZYMOGRSISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-Cl-O3-S

Molecular Weight

  • 360.8593
 
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Names and Synonyms

Synonym

  • beta-(p-Chlorophenyl)-alpha-(p-methylbenzoylthiomethyl)-gamma-butyrolactone

Systematic Name

  • Benzenecarbothioic acid, 4-methyl-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl ester

Registry Numbers

CAS Registry Number

  • 98163-67-8

System Generated Number

  • 0098163678

Structure Descriptors

InChI

1S/C19H17ClO3S/c1-12-2-4-14(5-3-12)19(24)23-11-17-16(10-22-18(17)21)13-6-8-15(20)9-7-13/h2-9,16-17H,10-11H2,1H3/t16?,17-/m1/s1

InChIKey

DGFFOHDAWJOUDP-ZYMOGRSISA-N

Smiles

Cc1ccc(cc1)C(=S)OC[C@@H]2C(COC2=O)c3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   United States Patent Document. Vol. #4613613,