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Substance Name: Butyrophenone, 4'-fluoro-4-(2-methyl-1,2,3,4,5,6,7,8-octahydro-13H-1,4,-diazecino(8,7-b)indol-5-yl)-
RN: 101247-79-4
InChIKey: NELXIQANQPYCSY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H30-F-N3-O

Molecular Weight

  • 407.53
 
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Names and Synonyms

Synonym

  • 2-Methyl-5-(gamma-(p-fluorobenzoyl)propyl)-1,2,3,4,5,6,7,8-octahydro-2,5-indolodiazocine

Systematic Name

  • Butyrophenone, 4'-fluoro-4-(2-methyl-1,2,3,4,5,6,7,8-octahydro-13H-1,4,-diazecino(8,7-b)indol-5-yl)-

Registry Numbers

CAS Registry Number

  • 101247-79-4

System Generated Number

  • 0101247794

Structure Descriptors

InChI

1S/C25H30FN3O/c1-17-15-24-22(21-6-2-3-7-23(21)29-24)13-14-27-20(16-28-17)5-4-8-25(30)18-9-11-19(26)12-10-18/h2-3,6-7,9-12,17,20,27-29H,4-5,8,13-16H2,1H3

InChIKey

NELXIQANQPYCSY-UHFFFAOYSA-N

Smiles

c12c3c(cccc3)[nH]c1C[C@@H](NC[C@@H](NCC2)CCCC(c1ccc(F)cc1)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 312, 1982.