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Substance Name: Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-
RN: 21704-21-2
InChIKey: CLRQXMRTTXJHLG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-F4-N-O

Molecular Weight

  • 385.4423
 
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Names and Synonyms

Synonym

  • 4'-Fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)butyrophenone

Systematic Name

  • Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-

Registry Numbers

CAS Registry Number

  • 21704-21-2

System Generated Number

  • 0021704212

Structure Descriptors

InChI

1S/C21H27F4NO/c22-18-7-5-16(6-8-18)19(27)4-2-12-26-13-10-20(11-14-26)9-1-3-17(15-20)21(23,24)25/h5-8,17H,1-4,9-15H2

InChIKey

CLRQXMRTTXJHLG-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)CCCN2CCC3(CCCC(C3)C(F)(F)F)CC2)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 100mg/kg (100mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Journal of Medicinal Chemistry. Vol. 12, Pg. 126, 1969.