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Substance Name: 2-Propen-1-one, 1-(2,4-dimethoxyphenyl)-3-(4-pyridinyl)-, (Z)-2-butenedioate (2:1)
RN: 65373-35-5
InChIKey: XGRJEEWHDQOFAZ-NWDFUMCASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H30-N2-O6.C4-H4-O4

Molecular Weight

  • 654.6686
 
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Names and Synonyms

Synonyms

  • 1-(2,4-Dimethoxyphenyl)-3-(4-pyridinyl)-2-propen-1-one (Z)-2-butenedioate (2:1)
  • Maleate acide de la (dimethoxy-2,4 phenyl)(beta-(pyridyl-4) vinyl)cetone
  • Maleate acide de la (dimethoxy-2,4 phenyl)(beta-(pyridyl-4) vinyl)cetone [French]

Systematic Name

  • 2-Propen-1-one, 1-(2,4-dimethoxyphenyl)-3-(4-pyridinyl)-, (Z)-2-butenedioate (2:1)

Registry Numbers

CAS Registry Number

  • 65373-35-5

System Generated Number

  • 0065373355

Molecular Formulas

Molecular Formula

  • C32-H30-N2-O6.C4-H4-O4

Molecular Formula Fragments

  • C32-H30-N2-O6
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H15NO3.C4H4O4/c2*1-19-13-4-5-14(16(11-13)20-2)15(18)6-3-12-7-9-17-10-8-12;5-3(6)1-2-4(7)8/h2*3-11H,1-2H3;1-2H,(H,5,6)(H,7,8)/b2*6-3-;2-1+

InChIKey

XGRJEEWHDQOFAZ-NWDFUMCASA-N

Smiles

COc1cc(c(cc1)C(=O)/C=C\c2ccncc2)OC.COc1cc(c(cc1)C(=O)/C=C\c2ccncc2)OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   French Demande Patent Document. Vol. #2328467,