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Substance Name: 1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)- (9CI)
RN: 23712-07-4
InChIKey: VLOZTRJQZRGNFV-UHFFFAOYSA-N

Molecular Formula

  • C22-H23-F-N2-O

Molecular Weight

  • 350.435
 
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Names and Synonyms

Synonyms

  • 4'-Fluoro-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)butyrophenone
  • BRN 0963875
  • U 25927

Systematic Names

  • 1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)- (9CI)
  • Butyrophenone, 4'-fluoro-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-

Registry Numbers

CAS Registry Number

  • 23712-07-4

System Generated Number

  • 0023712074

Structure Descriptors

InChI

1S/C22H23FN2O/c23-17-9-7-16(8-10-17)22(26)6-3-13-25-14-11-19-18-4-1-2-5-20(18)24-21(19)12-15-25/h1-2,4-5,7-10,24H,3,6,11-15H2

InChIKey

VLOZTRJQZRGNFV-UHFFFAOYSA-N

Smiles

c12c3c(cccc3)[nH]c1CC[N@@](CC2)CCCC(c1ccc(F)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 316mg/kg (316mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 23, 1970.