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Substance Name: Butyrophenone, 4'-fluoro-4-(4-(2-methylthiobenzimidazol-1-yl)piperidino)-
RN: 57648-22-3
InChIKey: BVGPDNRHQWKRSI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-F-N3-O-S

Molecular Weight

  • 411.5424
 
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Names and Synonyms

Synonyms

  • 1-(4-Fluorophenyl)-4-(4-(2-(methylthio)-1H-benzimidazol-1-yl)-1-piperidinyl)-1-butanone
  • 4'-Fluoro-4-(4-(2-methylthiobenzimidazol-1-yl)piperidino)butyrophenone
  • 5-23-11-00297 (Beilstein Handbook Reference)
  • BRN 0902388

Systematic Name

  • Butyrophenone, 4'-fluoro-4-(4-(2-methylthiobenzimidazol-1-yl)piperidino)-

Registry Numbers

CAS Registry Number

  • 57648-22-3

System Generated Number

  • 0057648223

Structure Descriptors

InChI

1S/C23H26FN3OS/c1-29-23-25-20-5-2-3-6-21(20)27(23)19-12-15-26(16-13-19)14-4-7-22(28)17-8-10-18(24)11-9-17/h2-3,5-6,8-11,19H,4,7,12-16H2,1H3

InChIKey

BVGPDNRHQWKRSI-UHFFFAOYSA-N

Smiles

CSc1nc2ccccc2n1C3CCN(CC3)CCCC(=O)c4ccc(cc4)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 930mg/kg (930mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 1116, 1978.