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Substance Name: Piperazine, 1-(3-chlorophenyl)-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:1)
RN: 55037-77-9
InChIKey: IRFXCYKNTASAAL-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl-N2.C4-H4-O4

Molecular Weight

  • 470.9939
 
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Names and Synonyms

  • Piperazine, 1-(3-chlorophenyl)-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 55037-77-9

System Generated Number

  • 0055037779

Molecular Formulas

Molecular Formula

  • C22-H27-Cl-N2.C4-H4-O4

Molecular Formula Fragments

  • C22-H27-Cl-N2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27ClN2.C4H4O4/c23-21-7-4-8-22(16-21)25-13-11-24(12-14-25)17-18-9-10-19-5-2-1-3-6-20(19)15-18;5-3(6)1-2-4(7)8/h4,7-10,15-16H,1-3,5-6,11-14,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

IRFXCYKNTASAAL-WLHGVMLRSA-N

Smiles

c1cc(cc(c1)Cl)N2CCN(CC2)Cc3ccc4c(c3)CCCCC4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2500mg/kg (2500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 2276, 1974.