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Basic Information
CAS No.: 3871-82-7
Name: 1-[3-(p-fluorobenzoyl)propyl]-4-hydroxy-4-(p-tolyl)piperidinium chloride
Article Data: 1
Molecular Structure:
Molecular Structure of 3871-82-7 (1-[3-(p-fluorobenzoyl)propyl]-4-hydroxy-4-(p-tolyl)piperidinium chloride)
Formula: C22H26 F N O2 . Cl H
Molecular Weight: 391.913
Synonyms: 1-Butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-,hydrochloride (9CI); Butyrophenone,4'-fluoro-4-(4-hydroxy-4-p-tolylpiperidino)-, hydrochloride (6CI,7CI,8CI);Methylperidol hydrochloride; Moperone chlorohydrate; Moperone hydrochloride; R1658
Density: 1.155g/cm3
Melting Point: 216-218°
Boiling Point: 517.7°Cat760mmHg
Flash Point: 266.9°C
Safety: Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of F−, HCl, and NOx.
PSA: 40.54000
LogP: 4.82050
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  • 1-Butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-,hydrochloride (1:1)

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    3871-82-7

    1-Butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-,hydrochloride (1:1)

    Min.Order: 1 Kilogram

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Chemistry

Molecule structure of Methylperidol hydrochloride (CAS NO.3871-82-7):

IUPAC Name: 1-(4-Fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-ium-1-yl]butan-1-one chloride 
Molecular Weight: 391.906683 g/mol
Molecular Formula: C22H27ClFNO2 
Boiling Point: 517.7 °C at 760 mmHg
Flash Point: 266.9 °C
Enthalpy of Vaporization: 83.18 kJ/mol
Vapour Pressure: 1.52E-11 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 391.171435
MonoIsotopic Mass: 391.171435
Topological Polar Surface Area: 41.7
Heavy Atom Count: 27
Complexity: 445
Canonical SMILES: CC1=CC=C(C=C1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)O.[Cl-]
InChI: InChI=1S/C22H26FNO2.ClH/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18;/h4-11,26H,2-3,12-16H2,1H3;1H
InChIKey: RJTOSFZZYBCYTM-UHFFFAOYSA-N
EINECS of Methylperidol hydrochloride (CAS NO.3871-82-7): 223-392-7

Toxicity Data With Reference

1.    

orl-rat LD50:152 mg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 4 (1970),869.
2.    

scu-rat LD50:24,500 µg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 4 (1970),869.
3.    

ivn-rat LD50:12,100 µg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 4 (1970),869.
4.    

orl-mus LD50:218 mg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 4 (1970),869.
5.    

orl-mus LD50:28,100 µg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 4 (1970),869.
6.    

ivn-mus LD50:15,500 µg/kg

     KSRNAM    Kiso to Rinsho. Clinical Report. 4 (1970),869.

Safety Profile

Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of F−, HCl, and NOx.

Specification

 Methylperidol hydrochloride (CAS NO.3871-82-7) is also named as 4'-Fluoro-4-(4-hydroxy-4-p-tolylpiperidino)butyrophenone, hydrochloride ; 4-(p-Tolyl)-1-(3'-(p-fluorobenzoyl)propyl)-piperidinol-(4) hydrochloride ; Luvatren ; Luvatrena ; Meldol ; Methylperidol HCl ; Moperone HCl ; Moperone chlorohydrate ; Moperone hydrochloride ; Moperonum hydrochloride ; NSC 170974 ; R 1658 ; 1-(3-(p-Fluorobenzoyl)propyl)-4-hydroxy-4-(p-tolyl)piperidinium chloride ; 1-Butanone, 1-(4-fluorophenyl)-4-(4-hydroxy-4-(4-methylphenyl)-1-piperidinyl)-, hydrochloride (9CI) ; Butyrophenone, 4'-fluoro-4-(4-hydroxy-4-p-tolylpiperidino)-, hydrochloride .