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Substance Name: Butyrophenone, 4'-fluoro-4-(10-methoxy-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, hydrochloride
RN: 23901-26-0
InChIKey: OUNSUSSSSLILEX-UHFFFAOYSA-N

Molecular Formula

  • C23-H25-F-N2-O2.Cl-H

Molecular Weight

  • 416.921
 
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Names and Synonyms

  • Butyrophenone, 4'-fluoro-4-(10-methoxy-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 23901-26-0

System Generated Number

  • 0023901260

Molecular Formulas

Molecular Formula

  • C23-H25-F-N2-O2.Cl-H

Molecular Formula Fragments

  • C23-H25-F-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25FN2O2.ClH/c1-28-22-6-2-4-20-23(22)18-11-14-26(15-12-19(18)25-20)13-3-5-21(27)16-7-9-17(24)10-8-16;/h2,4,6-10,25H,3,5,11-15H2,1H3;1H

InChIKey

OUNSUSSSSLILEX-UHFFFAOYSA-N

Smiles

c12c3c(CC[N@@H+](CC3)CCCC(c3ccc(F)cc3)=O)[nH]c1cccc2OC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 233mg/kg (233mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 23, 1970.