chempirical

Bromperidol

C21H23BrFNO2CAS 10457-90-6420.32 g/mol

Open in Covalent MOL file
ONOHBrF
AlcoholAryl halideKetoneTertiary amine

Properties

Molecular formula
C21H23BrFNO2
Molar mass
420.32 g/mol
Exact mass
419.0896 Da
Melting point
155 °C
logP
4.53Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P301+P317, P304+P340, P317, P319, P330, P403+P233, P405, P501

Identifiers

CAS number
10457-90-6
SMILES
O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1
InChIKey
RKLNONIVDFXQRX-UHFFFAOYSA-N
InChI
InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 1-Butanone, 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-
  • Butyrophenone, 4-[4-(p-bromophenyl)-4-hydroxypiperidino]-4′-fluoro-
  • 4-[4-(4-Bromophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone
  • Bromoperidol
  • R 11333
  • Tesoprel
  • Azurene
  • Impromen
  • Bromodol

Work with Bromperidol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Haloperidol52-86-877 % similar Pipamperone1893-33-052 % similar Fluanisone1480-19-946 % similar Azaperone1649-18-946 % similar 4-Chloro-1-(4-fluorophenyl)-1-butanone3874-54-245 % similar 4-Fluoro-δ-oxobenzenepentanoic acid149437-76-343 % similar 4′-Bromovalerophenone7295-44-542 % similar Benperidol2062-84-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook