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Substance Name: 1-Butanone, 1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino(2,1-b)(3)benzazepin-2(1H)-yl)-, dihydrochloride
RN: 58350-13-3
InChIKey: WHXTUPRXPCLHFI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-F-N2-O.2Cl-H

Molecular Weight

  • 439.3991
 
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Names and Synonyms

Synonym

  • 2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl

Systematic Name

  • 1-Butanone, 1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino(2,1-b)(3)benzazepin-2(1H)-yl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 58350-13-3

System Generated Number

  • 0058350133

Molecular Formulas

Molecular Formula

  • C23-H27-F-N2-O.2Cl-H

Molecular Formula Fragments

  • C23-H27-F-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27FN2O.2ClH/c24-21-9-7-19(8-10-21)23(27)6-3-12-25-14-15-26-13-11-18-4-1-2-5-20(18)16-22(26)17-25;;/h1-2,4-5,7-10,22H,3,6,11-17H2;2*1H

InChIKey

WHXTUPRXPCLHFI-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)CCN3CCN(CC3C2)CCCC(=O)c4ccc(cc4)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) BEHAVIORAL: EXCITEMENT

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Indian Journal of Chemistry. Vol. 13, Pg. 893, 1975.