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Substance Name: Benzenecarbothioic acid, 4-methyl-, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) ester
RN: 98163-72-5
InChIKey: GJLGMAWZISCGRD-ZYMOGRSISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-O3-S

Molecular Weight

  • 326.4142
 
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Names and Synonyms

Synonym

  • S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98163-72-5

System Generated Number

  • 0098163725

Structure Descriptors

InChI

1S/C19H18O3S/c1-13-7-9-15(10-8-13)19(23)22-12-17-16(11-21-18(17)20)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16?,17-/m1/s1

InChIKey

GJLGMAWZISCGRD-ZYMOGRSISA-N

Smiles

Cc1ccc(cc1)C(=S)OC[C@@H]2C(COC2=O)c3ccccc3

Toxicity

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