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Substance Name: 1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-4-methyl-6-oxo-, 2-(4-(phenylmethoxy)phenyl)-, diethyl ester
RN: 64670-41-3
InChIKey: OJSVJSVBTNXCCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-O7

Molecular Weight

  • 454.516
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 64670-41-3

System Generated Number

  • 0064670413

Structure Descriptors

InChI

1S/C26H30O7/c1-4-31-24(28)22-20(27)15-26(3,30)23(25(29)32-5-2)21(22)18-11-13-19(14-12-18)33-16-17-9-7-6-8-10-17/h6-14,21-23,30H,4-5,15-16H2,1-3H3

InChIKey

OJSVJSVBTNXCCH-UHFFFAOYSA-N

Smiles

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)c2ccc(cc2)OCc3ccccc3

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.