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Substance Name: Piperazine, 1-((2-methoxyphenyl)methyl)-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:2)
RN: 55037-71-3
InChIKey: BEDGCLUBOMBUTR-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H32-N2-O.2C4-H4-O4

Molecular Weight

  • 596.673
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55037-71-3

System Generated Number

  • 0055037713

Molecular Formulas

Molecular Formula

  • C24-H32-N2-O.2C4-H4-O4

Molecular Formula Fragments

  • C24-H32-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H32N2O.2C4H4O4/c1-27-24-10-6-5-9-23(24)19-26-15-13-25(14-16-26)18-20-11-12-21-7-3-2-4-8-22(21)17-20;2*5-3(6)1-2-4(7)8/h5-6,9-12,17H,2-4,7-8,13-16,18-19H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

BEDGCLUBOMBUTR-LVEZLNDCSA-N

Smiles

COc1c(cccc1)CN2CCN(CC2)Cc3cc4c(cc3)CCCCC4.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 oral 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 2276, 1974.