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Substance Name: Propiophenone, 3'-fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenyl-, hydrochloride
RN: 110345-35-2
InChIKey: RBCYFOOAWGAKCI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-F-N-O2.Cl-H

Molecular Weight

  • 391.9113
 
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Names and Synonyms

Synonyms

  • 1-Propanone, 1-(3-fluoro-4-methoxyphenyl)-3-(hexahydro-1H-azepin-1-yl)-2-phenyl-, HCl
  • 3'-Fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenylpropiophenone hydrochloride

Systematic Name

  • Propiophenone, 3'-fluoro-3-(hexahydro-1H-azepin-1-yl)-4'-methoxy-2-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 110345-35-2

System Generated Number

  • 0110345352

Molecular Formulas

Molecular Formula

  • C22-H26-F-N-O2.Cl-H

Molecular Formula Fragments

  • C22-H26-F-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26FNO2.ClH/c1-26-21-12-11-18(15-20(21)23)22(25)19(17-9-5-4-6-10-17)16-24-13-7-2-3-8-14-24;/h4-6,9-12,15,19H,2-3,7-8,13-14,16H2,1H3;1H

InChIKey

RBCYFOOAWGAKCI-UHFFFAOYSA-N

Smiles

COc1ccc(cc1F)C(=O)C(CN2CCCCCC2)c3ccccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 253, 1987.