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Substance Name: 2(3H)-Oxazolone, 4-(4-methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, (Z)-2-butenedioate
RN: 120944-28-7
InChIKey: WYKPFIUTXIULSN-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N3-O2.C4-H4-O4

Molecular Weight

  • 479.5301
 
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Names and Synonyms

Synonym

  • 4-(4-Methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazolone (Z)-2-butenedioate

Systematic Name

  • 2(3H)-Oxazolone, 4-(4-methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, (Z)-2-butenedioate

Registry Numbers

CAS Registry Number

  • 120944-28-7

System Generated Number

  • 0120944287

Molecular Formulas

Molecular Formula

  • C22-H25-N3-O2.C4-H4-O4

Molecular Formula Fragments

  • C22-H25-N3-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25N3O2.C4H4O4/c1-17-7-9-18(10-8-17)21-20(27-22(26)23-21)11-12-24-13-15-25(16-14-24)19-5-3-2-4-6-19;5-3(6)1-2-4(7)8/h2-10H,11-16H2,1H3,(H,23,26);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

WYKPFIUTXIULSN-WLHGVMLRSA-N

Smiles

Cc1ccc(cc1)c2c(oc(=O)[nH]2)CCN3CCN(CC3)c4ccccc4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 2241, 1989.