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Substance Name: Butyrophenone, 4'-fluoro-4-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)cyclohexylamino)-, hydrochloride, (E)-
RN: 40504-41-4
InChIKey: QCJSHKVMMQPCKR-VIGJSVAFSA-N

Molecular Formula

  • C23-H25-F4-N-O.Cl-H

Molecular Weight

  • 443.909
 
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Names and Synonyms

  • Butyrophenone, 4'-fluoro-4-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)cyclohexylamino)-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 40504-41-4

System Generated Number

  • 0040504414

Molecular Formulas

Molecular Formula

  • C23-H25-F4-N-O.Cl-H

Molecular Formula Fragments

  • C23-H25-F4-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25F4NO.ClH/c24-20-10-6-17(7-11-20)22(29)5-2-14-28-21-12-8-16(9-13-21)18-3-1-4-19(15-18)23(25,26)27;/h1,3-4,6-7,10-11,15-16,21,28H,2,5,8-9,12-14H2;1H/t16-,21-;

InChIKey

QCJSHKVMMQPCKR-VIGJSVAFSA-N

Smiles

c1([C@H]2CC[C@H]([NH2+]CCCC(c3ccc(F)cc3)=O)CC2)cc(ccc1)C(F)(F)F.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 142mg/kg (142mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1239, 1972.