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Substance Name: Piperazine, 1-(4-cyclopentylphenyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-, (Z)-2-butenedioate
RN: 113682-10-3
InChIKey: MBVFKNRCCVCLDU-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H34-N2-O2.C4-H4-O4

Molecular Weight

  • 510.6272
 
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Names and Synonyms

Synonym

  • 1-(4-Cyclopentylphenyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)piperazine maleate

Systematic Name

  • Piperazine, 1-(4-cyclopentylphenyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)-, (Z)-2-butenedioate

Registry Numbers

CAS Registry Number

  • 113682-10-3

System Generated Number

  • 0113682103

Molecular Formulas

Molecular Formula

  • C25-H34-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C25-H34-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H34N2O2.C4H4O4/c1-28-24-12-7-20(19-25(24)29-2)13-14-26-15-17-27(18-16-26)23-10-8-22(9-11-23)21-5-3-4-6-21;5-3(6)1-2-4(7)8/h7-12,19,21H,3-6,13-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MBVFKNRCCVCLDU-WLHGVMLRSA-N

Smiles

COc1ccc(cc1OC)CCN2CCN(CC2)c3ccc(cc3)C4CCCC4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1834, 1987.