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Substance Name: Ethanone, 2-(4-methyl-1-piperazinyl)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (2:4:1)
RN: 42882-42-8
InChIKey: LXQQMMZNIBRFLW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N2-O.2Cl-H.1/2H2-O

Molecular Weight

  • 359.338
 
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Names and Synonyms

  • Ethanone, 2-(4-methyl-1-piperazinyl)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 42882-42-8

System Generated Number

  • 0042882428

Molecular Formulas

Molecular Formula

  • C18-H26-N2-O.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C18-H26-N2-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H26N2O.2ClH/c1-19-9-11-20(12-10-19)14-18(21)17-8-7-15-5-3-2-4-6-16(15)13-17;;/h7-8,13H,2-6,9-12,14H2,1H3;2*1H

InChIKey

LXQQMMZNIBRFLW-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)C(CN1CCN(C)CC1)=O)CCCCC2.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3501, 1972.