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Substance Name: 1,3-Cyclohexanedicarboxylic acid, 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-, dimethyl ester
RN: 64670-42-4
InChIKey: NXIUIOFJKMTCKN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-O8

Molecular Weight

  • 380.3906
 
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Names and Synonyms

  • 1,3-Cyclohexanedicarboxylic acid, 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 64670-42-4

System Generated Number

  • 0064670424

Structure Descriptors

InChI

1S/C19H24O8/c1-19(23)9-11(20)15(17(21)26-4)14(16(19)18(22)27-5)10-6-7-12(24-2)13(8-10)25-3/h6-8,14-16,23H,9H2,1-5H3

InChIKey

NXIUIOFJKMTCKN-UHFFFAOYSA-N

Smiles

CC1(CC(=O)C(C(C1C(=O)OC)c2ccc(c(c2)OC)OC)C(=O)OC)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.