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Substance Name: 1,3-Cyclohexanedicarboxylic acid, 2-(3-ethoxy-4-(phenylmethoxy)phenyl)-4-hydroxy-4-methyl-6-oxo-, diethyl ester
RN: 64670-40-2
InChIKey: ZRZBAXVKVAXSRZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H34-O8

Molecular Weight

  • 498.5686
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 64670-40-2

System Generated Number

  • 0064670402

Structure Descriptors

InChI

1S/C28H34O8/c1-5-33-22-15-19(13-14-21(22)36-17-18-11-9-8-10-12-18)23-24(26(30)34-6-2)20(29)16-28(4,32)25(23)27(31)35-7-3/h8-15,23-25,32H,5-7,16-17H2,1-4H3

InChIKey

ZRZBAXVKVAXSRZ-UHFFFAOYSA-N

Smiles

CCOc1cc(ccc1OCc2ccccc2)C3C(C(=O)CC(C3C(=O)OCC)(C)O)C(=O)OCC

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.