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Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-((4-methylpiperidino)methyl)-, hydrochloride
RN: 96401-71-7
InChIKey: LTIWXPRHTRKWDF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N-O2.Cl-H

Molecular Weight

  • 323.861
 
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Names and Synonyms

Synonym

  • 3,4-Dihydro-7-methyl-4-((4-methylpiperidino)methyl)-1-benzoxepin-5(2H)-one hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 96401-71-7

System Generated Number

  • 0096401717

Molecular Formulas

Molecular Formula

  • C18-H25-N-O2.Cl-H

Molecular Formula Fragments

  • C18-H25-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25NO2.ClH/c1-13-5-8-19(9-6-13)12-15-7-10-21-17-4-3-14(2)11-16(17)18(15)20;/h3-4,11,13,15H,5-10,12H2,1-2H3;1H

InChIKey

LTIWXPRHTRKWDF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 71, 1985.