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Substance Name: Ethanone, 2-((3-(4-morpholinyl)propyl)(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (1:2:1)
RN: 42882-49-5
InChIKey: SKAIDNLQXHJERU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H36-N2-O2.2Cl-H.H2-O

Molecular Weight

  • 493.515
 
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Names and Synonyms

  • Ethanone, 2-((3-(4-morpholinyl)propyl)(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 42882-49-5

System Generated Number

  • 0042882495

Molecular Formulas

Molecular Formula

  • C27-H36-N2-O2.2Cl-H.H2-O

Molecular Formula Fragments

  • C27-H36-N2-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H36N2O2.2ClH/c30-27(26-13-12-24-10-5-2-6-11-25(24)20-26)22-29(21-23-8-3-1-4-9-23)15-7-14-28-16-18-31-19-17-28;;/h1,3-4,8-9,12-13,20H,2,5-7,10-11,14-19,21-22H2;2*1H

InChIKey

SKAIDNLQXHJERU-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)C(C[N@@H+](Cc1ccccc1)CCC[NH+]1CCOCC1)=O)CCCCC2.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3501, 1972.