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Substance Name: 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester
RN: 115499-64-4
InChIKey: ZLWQLHUIGHEIHF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N-O4

Molecular Weight

  • 365.4267
 
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Names and Synonyms

Synonym

  • Methyl 5-cyano-6,6-bis(4-methoxyphenyl)-5-hexenoate

Systematic Name

  • 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 115499-64-4

System Generated Number

  • 0115499644

Structure Descriptors

InChI

1S/C22H23NO4/c1-25-19-11-7-16(8-12-19)22(17-9-13-20(26-2)14-10-17)18(15-23)5-4-6-21(24)27-3/h7-14H,4-6H2,1-3H3

InChIKey

ZLWQLHUIGHEIHF-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)C(=C(CCCC(=O)OC)C#N)c2ccc(cc2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4954523,