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Substance Name: 1-Butanone, 1-(4-fluorophenyl)-4-(1,3,4,4a,5,9b-hexahydro-8-methyl-2H-pyrido(4,3-b)indol-2-yl)-, dihydrochloride
RN: 57933-19-4
InChIKey: KVEODATYSGAWTA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-F-N2-O.2Cl-H

Molecular Weight

  • 425.3723
 
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Names and Synonyms

Synonym

  • 8-Methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido(3,4-b)indole 2HCl

Systematic Name

  • 1-Butanone, 1-(4-fluorophenyl)-4-(1,3,4,4a,5,9b-hexahydro-8-methyl-2H-pyrido(4,3-b)indol-2-yl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 57933-19-4

System Generated Number

  • 0057933194

Molecular Formulas

Molecular Formula

  • C22-H25-F-N2-O.2Cl-H

Molecular Formula Fragments

  • C22-H25-F-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25FN2O.2ClH/c1-15-4-9-20-18(13-15)19-14-25(12-10-21(19)24-20)11-2-3-22(26)16-5-7-17(23)8-6-16;;/h4-9,13,19,21,24H,2-3,10-12,14H2,1H3;2*1H

InChIKey

KVEODATYSGAWTA-UHFFFAOYSA-N

Smiles

Cc1ccc2c(c1)C3CN(CCC3N2)CCCC(=O)c4ccc(cc4)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 95mg/kg (95mg/kg)   United States Patent Document. Vol. #3983239,
mouse LD50 intravenous 59mg/kg (59mg/kg)   United States Patent Document. Vol. #3983239,
mouse LD50 oral 339mg/kg (339mg/kg)   United States Patent Document. Vol. #3983239,
mouse LD50 subcutaneous 373mg/kg (373mg/kg)   United States Patent Document. Vol. #3983239,
rat LD50 intraperitoneal 146mg/kg (146mg/kg)   United States Patent Document. Vol. #3983239,
rat LD50 intravenous 51mg/kg (51mg/kg)   United States Patent Document. Vol. #3983239,
rat LD50 oral 812mg/kg (812mg/kg)   United States Patent Document. Vol. #3983239,
rat LD50 subcutaneous 592mg/kg (592mg/kg)   United States Patent Document. Vol. #3983239,