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Substance Name: 1-Piperazinecarboxylic acid, 4-(1-(4-methoxyphenyl)-3-phenylpropyl)-, ethyl ester, (Z)-2-butenedioate, hydrate (2:2:1)
RN: 40028-22-6
InChIKey: APDSDPRSWFKICJ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O3.C4-H4-O4.1/2H2-O

Molecular Weight

  • 498.5726
 
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Names and Synonyms

Synonym

  • 1-(1-(4-Methoxyphenyl)-3-phenylpropyl)-4-ethoxycarbonylpiperazine maleate hemihydrate

Systematic Name

  • 1-Piperazinecarboxylic acid, 4-(1-(4-methoxyphenyl)-3-phenylpropyl)-, ethyl ester, (Z)-2-butenedioate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 40028-22-6

System Generated Number

  • 0040028226

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O3.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C23-H30-N2-O3
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H30N2O3.C4H4O4/c1-3-28-23(26)25-17-15-24(16-18-25)22(14-9-19-7-5-4-6-8-19)20-10-12-21(27-2)13-11-20;5-3(6)1-2-4(7)8/h4-8,10-13,22H,3,9,14-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

APDSDPRSWFKICJ-WLHGVMLRSA-N

Smiles

CCOC(=O)N1CCN(CC1)C(CCc2ccccc2)c3ccc(cc3)OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3124, 1972.