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525-26-8

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Basic Information
CAS No.: 525-26-8
Name: Cloperidone
Molecular Structure:
Molecular Structure of 525-26-8 (Cloperidone)
Formula: C21H23 Cl N4 O2 . Cl H
Molecular Weight: 435.39
Synonyms: 2,4(1H,3H)-Quinazolinedione,3-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-, monohydrochloride (9CI);2,4(1H,3H)-Quinazolinedione, 3-[3-[4-(m-chlorophenyl)-1-piperazinyl]propyl]-,monohydrochloride (8CI);3-[3-(4-m-Chlorophenyl-1-piperazyl)propyl]-1,2,3,4-tetrahydroquinazoline-2,4-dionehydrochloride; 3-[3-[4-(m-Chlorophenyl)-1-piperazinyl]propyl]-2,4-(1H,3H)-quinazolinedionehydrochloride; Cloperidone hydrochloride; MA 1337
Density: g/cm3
Boiling Point: 606.7°Cat760mmHg
Flash Point: 320.7°C
Safety: Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and Cl−.
PSA: 61.34000
LogP: 3.36040
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    525-26-8

    2,4(1H,3H)-Quinazolinedione,3-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-, hydrochloride (1:1)

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  • Cloperidone

  • Casno:

    525-26-8

    Cloperidone

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Chemistry

IUPAC Name: 3-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dionehydrochloride 
Following is the structure of Cloperidone hydrochloride (CAS NO.525-26-8):
                
Empirical Formula: C21H24Cl2N4O2
Molecular Weight: 435.3469 g/mol
Flash Point: 320.7 °C
Enthalpy of Vaporization: 91.84 kJ/mol
Boiling Point: 606.7 °C at 760 mmHg
Vapour Pressure of Cloperidone hydrochloride (CAS NO.525-26-8): 5.43E-15 mmHg at 25 °C
Canonical SMILES: C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=O)C4=CC(=CC=C4)Cl.Cl
InChI: InChI=1S/C21H23ClN4O2.ClH/c22-16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-4-10-26-20(27)18-7-1-2-8-19(18)23-21(26)28;/h1-3,5-8,15H,4,9-14H2,(H,23,28);1H
InChIKey: QUGOVTRSGWYKSQ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:7650 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 148 (1965),151.
2.    

ipr-rat LD50:3290 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 148 (1965),151.
3.    

ipr-mus LD50:2610 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 148 (1965),151.

Safety Profile

 Moderately is toxic by intraperitoneal route. Mildly toxic by ingestion. When heated to decomposition, Cloperidone hydrochloride (CAS NO.525-26-8) emits toxic fumes of NOx and Cl−.

Specification

 Cloperidone hydrochloride , its cas register number is 525-26-8. It also can be called 2,4(1H,3H)-Quinazolinedione, 3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-, monohydrochloride ; 3-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-2,4(1H,3H)-quinazolinedione hydrochloride ; and Cloperidone HCl . Its classification code are Drug / Therapeutic Agent and Sedative-hypnotic.