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Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methoxy-4-(piperidinomethyl)-, hydrochloride
RN: 96401-82-0
InChIKey: KQTUMGCYBHTSTM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N-O3.Cl-H

Molecular Weight

  • 325.834
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 96401-82-0

System Generated Number

  • 0096401820

Molecular Formulas

Molecular Formula

  • C17-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C17-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H23NO3.ClH/c1-20-14-5-6-16-15(11-14)17(19)13(7-10-21-16)12-18-8-3-2-4-9-18;/h5-6,11,13H,2-4,7-10,12H2,1H3;1H

InChIKey

KQTUMGCYBHTSTM-UHFFFAOYSA-N

Smiles

c12c(ccc(c2)OC)OCC[C@@H](C1=O)C[NH+]1CCCCC1.[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.