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Substance Name: Piperazine, 1-methyl-4-(phenyl(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:2)
RN: 51490-57-4
InChIKey: PMKUKMJIAZQNEQ-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2.2C4-H4-O4

Molecular Weight

  • 566.6472
 
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Names and Synonyms

Synonym

  • 1-(alpha-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)benzyl)-4-methylpiperazine dimaleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 51490-57-4

System Generated Number

  • 0051490574

Molecular Formulas

Molecular Formula

  • C23-H30-N2.2C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C23H30N2.2C4H4O4/c1-24-14-16-25(17-15-24)23(20-9-5-3-6-10-20)22-13-12-19-8-4-2-7-11-21(19)18-22;2*5-3(6)1-2-4(7)8/h3,5-6,9-10,12-13,18,23H,2,4,7-8,11,14-17H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

PMKUKMJIAZQNEQ-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)C(c2cc3c(cc2)CCCCC3)c4ccccc4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 2768, 1973.