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Substance Name: 2-Cyclohexene-1-carboxylic acid, 2-(5-ethoxy-3-methyl-5-oxo-1,3-pentadienyl)-1,3-dimethyl-4-oxo-, ethyl ester, (E,E)-
RN: 67192-51-2
InChIKey: LJFKVEUPUJOZIB-AFAJWACHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H26-O5

Molecular Weight

  • 334.4094
 
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Names and Synonyms

  • 2-Cyclohexene-1-carboxylic acid, 2-(5-ethoxy-3-methyl-5-oxo-1,3-pentadienyl)-1,3-dimethyl-4-oxo-, ethyl ester, (E,E)-

Registry Numbers

CAS Registry Number

  • 67192-51-2

System Generated Number

  • 0067192512

Structure Descriptors

InChI

1S/C19H26O5/c1-6-23-17(21)12-13(3)8-9-15-14(4)16(20)10-11-19(15,5)18(22)24-7-2/h8-9,12H,6-7,10-11H2,1-5H3/b9-8+,13-12+

InChIKey

LJFKVEUPUJOZIB-AFAJWACHSA-N

Smiles

CCOC(=O)\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 213, 1984.