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Substance Name: 3-Buten-2-one, 3-(2-(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)phenoxy)-4-phenyl-, maleate (1:2), (Z)-
RN: 106063-74-5
InChIKey: YSBHKFMOZZHNGL-XUPSFGKCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N2-O4.2C4-H4-O4

Molecular Weight

  • 642.654
 
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Names and Synonyms

  • 3-Buten-2-one, 3-(2-(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)phenoxy)-4-phenyl-, maleate (1:2), (Z)-

Registry Numbers

CAS Registry Number

  • 106063-74-5

System Generated Number

  • 0106063745

Molecular Formulas

Molecular Formula

  • C24-H30-N2-O4.2C4-H4-O4

Molecular Formula Fragments

  • C24-H30-N2-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30N2O4.2C4H4O4/c1-19(27)24(16-20-8-4-3-5-9-20)30-23-11-7-6-10-22(23)29-18-21(28)17-26-14-12-25(2)13-15-26;2*5-3(6)1-2-4(7)8/h3-11,16,21,28H,12-15,17-18H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b24-16-;2*2-1-

InChIKey

YSBHKFMOZZHNGL-XUPSFGKCSA-N

Smiles

C(\Oc1c(cccc1)OC[C@@H](CN1CCN(CC1)C)O)(=C/c1ccccc1)C(C)=O.C(\C=C/C(=O)O)(O)=O.C(\C=C/C(=O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.