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Substance Name: 2-Cyclohexene-1-carboxylic acid, 2-(4-carboxy-3-methyl-1,3-butadienyl)-1,3-dimethyl-4-oxo-, (E,E)-
RN: 67192-53-4
InChIKey: HEBSGHDZJRSUDU-KQWYESAVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-O5

Molecular Weight

  • 278.3022
 
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Names and Synonyms

Synonym

  • (E,E)-2-(4-Carboxy-3-methyl-1,3-butadienyl)-1,3-dimethyl-4-oxo-2-cyclohexene-1-carboxylic acid

Systematic Name

  • 2-Cyclohexene-1-carboxylic acid, 2-(4-carboxy-3-methyl-1,3-butadienyl)-1,3-dimethyl-4-oxo-, (E,E)-

Registry Numbers

CAS Registry Number

  • 67192-53-4

System Generated Number

  • 0067192534

Structure Descriptors

InChI

1S/C15H18O5/c1-9(8-13(17)18)4-5-11-10(2)12(16)6-7-15(11,3)14(19)20/h4-5,8H,6-7H2,1-3H3,(H,17,18)(H,19,20)/b5-4+,9-8+

InChIKey

HEBSGHDZJRSUDU-KQWYESAVSA-N

Smiles

CC1=C(C(CCC1=O)(C)C(=O)O)/C=C/C(=C/C(=O)O)/C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1058mg/kg (1058mg/kg)   Bulletin of Experimental Biology and Medicine Vol. 93, Pg. 479, 1982.