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Substance Name: Butyrophenone, 4'-fluoro-4-((4-methoxy-4-(alpha,alpha,alpha-trifluoro-m-tolyl)cyclohexyl)amino)-, hydrochloride, (E)-
RN: 42021-00-1
InChIKey: ITYHHDFUDHMOMP-DNFHWDLCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-F4-N-O2.Cl-H

Molecular Weight

  • 473.9352
 
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Names and Synonyms

  • Butyrophenone, 4'-fluoro-4-((4-methoxy-4-(alpha,alpha,alpha-trifluoro-m-tolyl)cyclohexyl)amino)-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 42021-00-1

System Generated Number

  • 0042021001

Molecular Formulas

Molecular Formula

  • C24-H27-F4-N-O2.Cl-H

Molecular Formula Fragments

  • C24-H27-F4-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H27F4NO2.ClH/c1-31-23(18-4-2-5-19(16-18)24(26,27)28)13-11-21(12-14-23)29-15-3-6-22(30)17-7-9-20(25)10-8-17;/h2,4-5,7-10,16,21,29H,3,6,11-15H2,1H3;1H/t21-,23+;

InChIKey

ITYHHDFUDHMOMP-DNFHWDLCSA-N

Smiles

CO[C@]1(CC[C@H](CC1)NCCCC(=O)c2ccc(cc2)F)c3cc(ccc3)C(F)(F)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 225mg/kg (225mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1251, 1973.