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Substance Name: Butyrophenone, 4'-fluoro-4-((4-methoxy-4-m-tolylcyclohexyl)amino)-, hydrochloride, hemihydrate, (Z)-
RN: 63867-28-7
InChIKey: ZJZUVNPYNFGXSG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-F-N-O2.Cl-H.1/2H2-O

Molecular Weight

  • 857.945
 
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Names and Synonyms

Synonyms

  • cis-4'-Fluoro-4-((4-methoxy-4-m-tolylcyclohexyl)amino)butyrophenone hydrochloride hydrate
  • cis-N-(3-(p-Fluorobenzoyl)propyl)-4-methoxy-4-m-tolylcyclohexylamine hydrochloride hydrate

Systematic Name

  • Butyrophenone, 4'-fluoro-4-((4-methoxy-4-m-tolylcyclohexyl)amino)-, hydrochloride, hemihydrate, (Z)-

Registry Numbers

CAS Registry Number

  • 63867-28-7

System Generated Number

  • 0063867287

Molecular Formulas

Molecular Formula

  • C24-H30-F-N-O2.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C24-H30-F-N-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C24H30FNO2.2ClH.H2O/c2*1-18-5-3-6-20(17-18)24(28-2)14-12-22(13-15-24)26-16-4-7-23(27)19-8-10-21(25)11-9-19;;;/h2*3,5-6,8-11,17,22,26H,4,7,12-16H2,1-2H3;2*1H;1H2

InChIKey

ZJZUVNPYNFGXSG-UHFFFAOYSA-N

Smiles

C1(c2cccc(C)c2)(CCC(NCCCC(c2ccc(F)cc2)=O)CC1)OC.Cl.O.C1(c2cc(C)ccc2)(CCC(NCCCC(c2ccc(cc2)F)=O)CC1)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 89mg/kg (89mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1251, 1973.