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Substance Name: 2-Butenoic acid, 3-(2-methoxy-5-(1-oxo-3-phenyl-2-propenyl)phenyl)-, (E,E)-
RN: 82885-73-2
InChIKey: OKCNUCLRBVLDQF-SHQVAAIUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H18-O4

Molecular Weight

  • 322.3582
 
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Names and Synonyms

Synonym

  • (E,E)-3-(2-Methoxy-5-(1-oxo-3-phenyl-2-propenyl)phenyl)-2-butenoic acid

Systematic Name

  • 2-Butenoic acid, 3-(2-methoxy-5-(1-oxo-3-phenyl-2-propenyl)phenyl)-, (E,E)-

Registry Numbers

CAS Registry Number

  • 82885-73-2

System Generated Number

  • 0082885732

Structure Descriptors

InChI

1S/C20H18O4/c1-14(12-20(22)23)17-13-16(9-11-19(17)24-2)18(21)10-8-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23)/b10-8+,14-12+

InChIKey

OKCNUCLRBVLDQF-SHQVAAIUSA-N

Smiles

C/C(=C\C(=O)O)/c1cc(ccc1OC)C(=O)/C=C/c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 550mg/kg (550mg/kg)   United States Patent Document. Vol. #4421927,