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Substance Name: 1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-4-methyl-6-oxo-2-phenyl-, diethyl ester
RN: 17572-39-3
InChIKey: VDLSNXQRYWSHGB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-O6

Molecular Weight

  • 348.393
 
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Names and Synonyms

Synonym

  • Diethyl 4-hydroxy-4-methyl-6-oxo-2-phenyl-1,3-cyclohexanedicarboxylate

Systematic Name

  • 1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-4-methyl-6-oxo-2-phenyl-, diethyl ester

Registry Numbers

CAS Registry Number

  • 17572-39-3

System Generated Number

  • 0017572393

Structure Descriptors

InChI

1S/C19H24O6/c1-4-24-17(21)15-13(20)11-19(3,23)16(18(22)25-5-2)14(15)12-9-7-6-8-10-12/h6-10,14-16,23H,4-5,11H2,1-3H3

InChIKey

VDLSNXQRYWSHGB-UHFFFAOYSA-N

Smiles

C1(C[C@@]([C@@H]([C@@H]([C@@H]1C(=O)OCC)c1ccccc1)C(=O)OCC)(O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 15, Pg. 359, 1977.