Structural formula
| Business number | 015P |
|---|---|
| Molecular formula | C21H23ClFNO2 |
| Molecular weight | 375.86 |
| label |
haloperidol, halopyridol, 1-(4-Fluorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-butanone, iohexol, haloperidol, 4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4′-fluorobutyrophenone, 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone, 4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4′-fluorobut |
Numbering system
CAS number:52-86-8
MDL number:MFCD00051423
EINECS number:200-155-6
RTECS number:EU1575000
BRN number:None
PubChem number:24277917
Physical property data
1. Characteristics: White or off-white crystalline powder. Odorless and tasteless.
2. Density ( g/mL,25/4℃）： Undetermined SPAN>
3. Relative steam Density (g/mL,AIR=1): Undetermined
4. Melting point ( oC):148-149.4
5. Boiling point ( oC,Normal pressure): Undetermined
6. Boiling point ( oC, 13.33kpa):
7. Refractive index: Undetermined
8. Flashpoint (oC): Undetermined
9. Specific optical activity Degree (o,）： Undetermined
10. Spontaneous ignition point or ignition temperature (oC): Undetermined
11. Vapor Pressure (kPa,25oC): Undetermined
12. Saturation vapor pressure ( kPa,60oC): Undetermined
13. Burning heat (KJ/mol): Undetermined
14. Critical temperature (oC): Undetermined
15. Critical Pressure (KPa): Undetermined
16. Oil and water ( Octanol/Log value of water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility ：Easily soluble in chloroform, methanol, acetone, benzene and dilute acid, solubility in water1.4mg/100ml.
Toxicological data
Moderately toxic, LD50 (rat, oral)165mg/kg.
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 101.01
2. Molar volume (m3/mol）：303.2
3. Isotonic specific volume(90.2K)： 797.8
4. Surface Tension(dyne/cm)：47.9
5. Polarizability(10-24cm3)：40.04
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: 2
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 26
8. Surface charge: 0
9. Complexity: 451
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
Should be sealed and stored away from light.
Synthesis method
By4-p-chlorobenzene-4-hydroxy piper andγ–Chloro-p-fluorophenbutanone condensation And get. IntermediateγChlorofluorobenzene is composed of fluorobenzene,γ–Produced from butyrolactone and thionyl chloride.
Purpose
Antipsychotic drugs, formerly known as strong tranquilizers, are mainly used to control schizophrenia and other patients with hallucinations, delusions, Excitement, impulsiveness and other related diseases. Haloperidol is mainly used to combat mania and hallucinations in acute and chronic schizophrenia. It has a significant effect on controlling excitement and agitation, but it is ineffective in treating depression and apathy in schizophrenia.
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