Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-((4-methyl-1-piperazinyl)methyl)-, dihydrochloride
RN: 96401-80-8
InChIKey: OAMAHFVWQCCIQX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N2-O2.2Cl-H

Molecular Weight

  • 375.337
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 3,4-Dihydro-7,8-dimethyl-4-((4-methyl-1-piperazinyl)methyl)-1-benzoxepin-5(2H)-one 2HCl

Systematic Name

  • 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-((4-methyl-1-piperazinyl)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 96401-80-8

System Generated Number

  • 0096401808

Molecular Formulas

Molecular Formula

  • C18-H26-N2-O2.2Cl-H

Molecular Formula Fragments

  • C18-H26-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H26N2O2.2ClH/c1-13-10-16-17(11-14(13)2)22-9-4-15(18(16)21)12-20-7-5-19(3)6-8-20;;/h10-11,15H,4-9,12H2,1-3H3;2*1H

InChIKey

OAMAHFVWQCCIQX-UHFFFAOYSA-N

Smiles

c12C([C@@H](CN3CCN(C)CC3)CCOc1cc(c(c2)C)C)=O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 71, 1985.