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Methylperidol hydrochloride

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Name

Methylperidol hydrochloride

EINECS N/A
CAS No. 3871-82-7 Density 1.155g/cm3
PSA 40.54000 LogP 4.82050
Solubility N/A Melting Point 216-218°
Formula C22H26 F N O2 . Cl H Boiling Point 517.7°Cat760mmHg
Molecular Weight 391.913 Flash Point 266.9°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of F, HCl, and NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 3871-82-7 (1-[3-(p-fluorobenzoyl)propyl]-4-hydroxy-4-(p-tolyl)piperidinium chloride) Hazard Symbols N/A
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

Article Data 1

Methylperidol hydrochloride Chemical Properties

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

Methylperidol hydrochloride 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.

Methylperidol hydrochloride Safety Profile

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

Methylperidol hydrochloride 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 .

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