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Substance Name: 1-Piperazinepropanol, 4-((2-chlorophenyl)(3-chlorophenyl)methyl)-, (Z)-2- butenedioate (1:1) (salt)
RN: 126517-39-3
InChIKey: GCXTUBAQECWTLB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-Cl2-N2-O.C4-H4-O4

Molecular Weight

  • 495.4002
 
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Names and Synonyms

Synonyms

  • 1-(2,3'-Dichlorobenzhydryl)-4-(3-hydroxypropyl)piperazine maleate
  • 4-((2-Chlorophenyl)(3-chlorophenyl)methyl)-1-piperazinepropanol (Z)-2-butenedioate (1:1)

Systematic Name

  • 1-Piperazinepropanol, 4-((2-chlorophenyl)(3-chlorophenyl)methyl)-, (Z)-2- butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 126517-39-3

System Generated Number

  • 0126517393

Molecular Formulas

Molecular Formula

  • C20-H24-Cl2-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C20-H24-Cl2-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24Cl2N2O.C4H4O4/c21-17-6-3-5-16(15-17)20(18-7-1-2-8-19(18)22)24-12-10-23(11-13-24)9-4-14-25;5-3(6)1-2-4(7)8/h1-3,5-8,15,20,25H,4,9-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

GCXTUBAQECWTLB-WLHGVMLRSA-N

Smiles

c1ccc(c(c1)C(c2cccc(c2)Cl)N3CCN(CC3)CCCO)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 39mg/kg (39mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 2248, 1989.
mouse LD50 oral 426mg/kg (426mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 2248, 1989.