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Substance Name: 1-Piperazinecarboxylic acid, 4-(2-oxo-2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)ethyl)-,ethyl ester, (Z)-2-butenedioate (1:1)
RN: 42882-43-9
InChIKey: VNUZQKINZZVGOZ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N2-O3.C4-H4-O4

Molecular Weight

  • 460.524
 
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Names and Synonyms

  • 1-Piperazinecarboxylic acid, 4-(2-oxo-2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)ethyl)-,ethyl ester, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 42882-43-9

System Generated Number

  • 0042882439

Molecular Formulas

Molecular Formula

  • C20-H28-N2-O3.C4-H4-O4

Molecular Formula Fragments

  • C20-H28-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28N2O3.C4H4O4/c1-2-25-20(24)22-12-10-21(11-13-22)15-19(23)18-9-8-16-6-4-3-5-7-17(16)14-18;5-3(6)1-2-4(7)8/h8-9,14H,2-7,10-13,15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

VNUZQKINZZVGOZ-WLHGVMLRSA-N

Smiles

N1(CCN(CC(c2cc3c(CCCCC3)cc2)=O)CC1)C(=O)OCC.C(\C=C\C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 125mg/kg (125mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3501, 1972.