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Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-(piperidinomethyl)-, hydrochloride
RN: 96401-77-3
InChIKey: JYQSSVXGYUHXOL-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

  • 7,8-Dimethyl-4-(piperidinomethyl)-3,4-dihydro-1-benzoxepin-5(2H)-one hydrochloride

Systematic Name

  • 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-(piperidinomethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 96401-77-3

System Generated Number

  • 0096401773

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/c1-13-10-16-17(11-14(13)2)21-9-6-15(18(16)20)12-19-7-4-3-5-8-19;/h10-11,15H,3-9,12H2,1-2H3;1H

InChIKey

JYQSSVXGYUHXOL-UHFFFAOYSA-N

Smiles

c12c(cc(C)c(c2)C)OCC[C@@H](C1=O)C[NH+]1CCCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 71, 1985.