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Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-(4-methyl-1-piperazinyl)-, dihydrochloride
RN: 56071-17-1
InChIKey: PJQRAPRKWLMRKE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-N2-O2.2Cl-H

Molecular Weight

  • 361.31
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56071-17-1

System Generated Number

  • 0056071171

Molecular Formulas

Molecular Formula

  • C17-H24-N2-O2.2Cl-H

Molecular Formula Fragments

  • C17-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H24N2O2.2ClH/c1-12-10-14-16(11-13(12)2)21-9-4-15(17(14)20)19-7-5-18(3)6-8-19;;/h10-11,15H,4-9H2,1-3H3;2*1H

InChIKey

PJQRAPRKWLMRKE-UHFFFAOYSA-N

Smiles

c12C([C@@H](N3CCN(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. Vol. 13, Pg. 1, 1975.