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Substance Name: 1-Piperazineethanol, 4-(1-(4-methoxyphenyl)-3-phenylpropyl)-, (Z)-2-butenedioate (1:2)
RN: 40028-19-1
InChIKey: TXWVMINJPIMKQQ-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N2-O2.2C4-H4-O4

Molecular Weight

  • 586.6342
 
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Names and Synonyms

Synonym

  • 4-(1-(4-Methoxyphenyl)-3-phenylpropyl)-1-piperazineethanol dimaleate

Systematic Name

  • 1-Piperazineethanol, 4-(1-(4-methoxyphenyl)-3-phenylpropyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 40028-19-1

System Generated Number

  • 0040028191

Molecular Formulas

Molecular Formula

  • C22-H30-N2-O2.2C4-H4-O4

Molecular Formula Fragments

  • C22-H30-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H30N2O2.2C4H4O4/c1-26-21-10-8-20(9-11-21)22(12-7-19-5-3-2-4-6-19)24-15-13-23(14-16-24)17-18-25;2*5-3(6)1-2-4(7)8/h2-6,8-11,22,25H,7,12-18H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

TXWVMINJPIMKQQ-LVEZLNDCSA-N

Smiles

COc1ccc(cc1)C(N2CCN(CC2)CCO)CCc3ccccc3.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 intravenous 87500ug/kg (87.5mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3124, 1972.