Haloperidol

C₂₁H₂₃ClFNO₂CAS 52-86-8375.87 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ketone Tertiary amine

Properties

Molecular formula: C₂₁H₂₃ClFNO₂
Molar mass: 375.87 g/mol
Exact mass: 375.1401 Da
Melting point: 151.5 °C
pKa: 8.66
logP: 4.43Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers
H315 Causes skin irritation85.9% of notifiers
H317 May cause an allergic skin reaction82.4% of notifiers
H319 Causes serious eye irritation85.9% of notifiers
H335 May cause respiratory irritation83.5% of notifiers
H361 Suspected of damaging fertility or the unborn child85.9% of notifiers

Aggregated from 85 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52-86-8

SMILES

O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1

InChIKey

LNEPOXFFQSENCJ-UHFFFAOYSA-N

InChI

InChI=1S/C21H23ClFNO2/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

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Names and synonyms

28 names · show all

1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-
Butyrophenone, 4-[4-(p-chlorophenyl)-4-hydroxypiperidino]-4′-fluoro-
4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone
R 1625
4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4′-fluorobutyrophenone
γ-[4-(p-Chlorphenyl)-4-hydroxypiperidino]-p-fluorbutyrophenone
1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine
Haldol
4-(4-Hydroxy-4′-chloro-4-phenylpiperidino)-4′-fluorobutyrophenone
Serenase
Serenace
Aloperidin
Serenelfi
Haloperin
Neurodol
Eukystol
Dozic
Peluces
Einalon S
Keselan
Sigaperidol
Brotopon
Halosten
Linton
Bioperidolo
McN-JR 1625
NSC 170973
NSC 615296

Work with Haloperidol

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

Bromperidol10457-90-677 % similar Pipamperone1893-33-052 % similar 4-Chloro-1-(4-fluorophenyl)-1-butanone3874-54-248 % similar Loperamide53179-11-647 % similar Fluanisone1480-19-946 % similar 4-Chloro-1-(4-chlorophenyl)-1-butanone40877-09-646 % similar Azaperone1649-18-946 % similar Loperamide hydrochloride34552-83-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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