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Substance Name: Piperazine, 1-(4-methylphenyl)-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:1)
RN: 55037-79-1
InChIKey: KVVSTAHTIPXCBF-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2.C4-H4-O4

Molecular Weight

  • 450.5756
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55037-79-1

System Generated Number

  • 0055037791

Molecular Formulas

Molecular Formula

  • C23-H30-N2.C4-H4-O4

Molecular Formula Fragments

  • C23-H30-N2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30N2.C4H4O4/c1-19-7-11-23(12-8-19)25-15-13-24(14-16-25)18-20-9-10-21-5-3-2-4-6-22(21)17-20;5-3(6)1-2-4(7)8/h7-12,17H,2-6,13-16,18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KVVSTAHTIPXCBF-WLHGVMLRSA-N

Smiles

Cc1ccc(cc1)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.