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Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-((4-phenylpiperidino)methyl)-, hydrochloride
RN: 96401-75-1
InChIKey: CQMIDPXVNAOFHI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N-O2.Cl-H

Molecular Weight

  • 385.932
 
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Names and Synonyms

Synonym

  • 7-Methyl-4-((4-phenylpiperidino)methyl)-3,4-dihydro-1-benzoxepin-5(2H)-one hydrochloride

Systematic Name

  • 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-((4-phenylpiperidino)methyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 96401-75-1

System Generated Number

  • 0096401751

Molecular Formulas

Molecular Formula

  • C23-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27NO2.ClH/c1-17-7-8-22-21(15-17)23(25)20(11-14-26-22)16-24-12-9-19(10-13-24)18-5-3-2-4-6-18;/h2-8,15,19-20H,9-14,16H2,1H3;1H

InChIKey

CQMIDPXVNAOFHI-UHFFFAOYSA-N

Smiles

c12c(ccc(c2)C)OCC[C@@H](C1=O)C[NH+]1CCC(c2ccccc2)CC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 71, 1985.