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Substance Name: Butyrophenone, 4'-fluoro-4-(4-(alpha,alpha,alpha-trifluoro-p-tolyl)cyclohexylamino)-, hydrochloride, (E)-
RN: 40504-42-5
InChIKey: ZDEIZGPXMCOMLO-RJHLRSTHSA-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-p-tolyl)cyclohexylamino)-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 40504-42-5

System Generated Number

  • 0040504425

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/c24-20-11-5-18(6-12-20)22(29)2-1-15-28-21-13-7-17(8-14-21)16-3-9-19(10-4-16)23(25,26)27;/h3-6,9-12,17,21,28H,1-2,7-8,13-15H2;1H/t17-,21-;

InChIKey

ZDEIZGPXMCOMLO-RJHLRSTHSA-N

Smiles

c1([C@H]2CC[C@H]([NH2+]CCCC(c3ccc(F)cc3)=O)CC2)ccc(C(F)(F)F)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1239, 1972.