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Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(morpholinomethyl)-, hydrochloride
RN: 96401-69-3
InChIKey: AMAWHFYTMYKFMA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O3.Cl-H

Molecular Weight

  • 311.807
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 96401-69-3

System Generated Number

  • 0096401693

Molecular Formulas

Molecular Formula

  • C16-H21-N-O3.Cl-H

Molecular Formula Fragments

  • C16-H21-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21NO3.ClH/c1-12-2-3-15-14(10-12)16(18)13(4-7-20-15)11-17-5-8-19-9-6-17;/h2-3,10,13H,4-9,11H2,1H3;1H

InChIKey

AMAWHFYTMYKFMA-UHFFFAOYSA-N

Smiles

c12c(ccc(c2)C)OCC[C@@H](C1=O)C[NH+]1CCOCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 71, 1985.