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Substance Name: 2-Propenoic acid, 3-(2-methoxy-5-(1-oxo-3-phenyl-2-propenyl)phenyl)-, 2-(4-methyl-1-piperazinyl)ethyl ester, (E,E)-, (E)-2-butenedioate (1:2)
RN: 82885-75-4
InChIKey: VIEFKUHYKJWKFR-CVSWAGGTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-N2-O4.2C4-H4-O4

Molecular Weight

  • 666.6762
 
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Names and Synonyms

  • 2-Propenoic acid, 3-(2-methoxy-5-(1-oxo-3-phenyl-2-propenyl)phenyl)-, 2-(4-methyl-1-piperazinyl)ethyl ester, (E,E)-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 82885-75-4

System Generated Number

  • 0082885754

Molecular Formulas

Molecular Formula

  • C26-H30-N2-O4.2C4-H4-O4

Molecular Formula Fragments

  • C26-H30-N2-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H30N2O4.2C4H4O4/c1-27-14-16-28(17-15-27)18-19-32-26(30)13-10-23-20-22(9-12-25(23)31-2)24(29)11-8-21-6-4-3-5-7-21;2*5-3(6)1-2-4(7)8/h3-13,20H,14-19H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b11-8+,13-10+;2*2-1+

InChIKey

VIEFKUHYKJWKFR-CVSWAGGTSA-N

Smiles

CN1CCN(CC1)CCOC(=O)/C=C/c2c(ccc(c2)C(=O)/C=C/c3ccccc3)OC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4421927,