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Substance Name: Benzeneacetic acid, alpha-(3-hydroxy-4-(4-methylphenyl)-5-oxo-2(5H)-furanylidene)-4-methyl-, methyl ester, (E)-
RN: 37542-24-8
InChIKey: QDCOZQJSQYAOCF-HTXNQAPBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-O5

Molecular Weight

  • 350.3682
 
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Names and Synonyms

Synonym

  • BRN 1329039

Systematic Name

  • Benzeneacetic acid, alpha-(3-hydroxy-4-(4-methylphenyl)-5-oxo-2(5H)-furanylidene)-4-methyl-, methyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 37542-24-8

System Generated Number

  • 0037542248

Structure Descriptors

InChI

1S/C21H18O5/c1-12-4-8-14(9-5-12)16-18(22)19(26-21(16)24)17(20(23)25-3)15-10-6-13(2)7-11-15/h4-11,22H,1-3H3/b19-17+

InChIKey

QDCOZQJSQYAOCF-HTXNQAPBSA-N

Smiles

Cc1ccc(cc1)C2=C(/C(=C(/c3ccc(cc3)C)\C(=O)OC)/OC2=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 199, 1975.