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Substance Name: Piperazine, 1-(1-(4-methoxyphenyl)-3-phenylpropyl)-4-(phenylmethyl)-, (Z)-2-butenedioate (1:2)
RN: 40028-21-5
InChIKey: MAWGKLPSHVUUMI-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H32-N2-O.2C4-H4-O4

Molecular Weight

  • 632.706
 
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Names and Synonyms

Synonym

  • 1-(1-(4-Methoxyphenyl)-3-phenylpropyl)-4-(phenylmethyl)piperazine dimaleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40028-21-5

System Generated Number

  • 0040028215

Molecular Formulas

Molecular Formula

  • C27-H32-N2-O.2C4-H4-O4

Molecular Formula Fragments

  • C27-H32-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H32N2O.2C4H4O4/c1-30-26-15-13-25(14-16-26)27(17-12-23-8-4-2-5-9-23)29-20-18-28(19-21-29)22-24-10-6-3-7-11-24;2*5-3(6)1-2-4(7)8/h2-11,13-16,27H,12,17-22H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

MAWGKLPSHVUUMI-LVEZLNDCSA-N

Smiles

COc1ccc(cc1)C(N2CCN(CC2)Cc3ccccc3)CCc4ccccc4.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 90mg/kg (90mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3124, 1972.