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Substance Name: 1-Butanone, 4-(4-(3-chlorophenyl)-1-piperazinyl)-1-(4-cyclopentylphenyl)-, (Z)-2-butenedioate
RN: 112446-96-5
InChIKey: BALIISBVPDRULX-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-Cl-N2-O.C4-H4-O4

Molecular Weight

  • 527.0575
 
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Names and Synonyms

Synonym

  • 4-(4-(3-Chlorophenyl)-1-piperazinyl)-1-(4-cyclopentylphenyl)-1-butanone maleate

Systematic Name

  • 1-Butanone, 4-(4-(3-chlorophenyl)-1-piperazinyl)-1-(4-cyclopentylphenyl)-, (Z)-2-butenedioate

Registry Numbers

CAS Registry Number

  • 112446-96-5

System Generated Number

  • 0112446965

Molecular Formulas

Molecular Formula

  • C25-H31-Cl-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C25-H31-Cl-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31ClN2O.C4H4O4/c26-23-7-3-8-24(19-23)28-17-15-27(16-18-28)14-4-9-25(29)22-12-10-21(11-13-22)20-5-1-2-6-20;5-3(6)1-2-4(7)8/h3,7-8,10-13,19-20H,1-2,4-6,9,14-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BALIISBVPDRULX-WLHGVMLRSA-N

Smiles

c1cc(cc(c1)Cl)N2CCN(CC2)CCCC(=O)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 1500mg/kg (1500mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1073, 1987.