CAS No.2062-78-4,PIMOZIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2062-78-4
Name:	PIMOZIDE
Article Data:	5

Formula:	C28H29 F2 N3 O
Molecular Weight:	461.555
Synonyms:	2-Benzimidazolinone,1-[1-[4,4-bis(p-fluorophenyl)butyl]-4-piperidyl]- (7CI,8CI);1-(1-(4,4-Bis(4-fluorophenyl)butyl)-4-piperindinyl)-1,3-dihydro-2H-benzimidazol-2-one;1-[1-[4,4-Bis(p-fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone;1-[4,4-Bis(p-fluorophenyl)butyl]-4-(2-oxo-1-benzimidazolinyl)piperidine; NSC170984; Orap; Pimozide; Primozide; R 6238
Density:	1.224g/cm³
Melting Point:	214-218°
Boiling Point:	°Cat760mmHg
Flash Point:	°C
Solubility:	2.9mg/L(30 oC)
Hazard Symbols:
Risk Codes:	22
Safety:	Poison by ingestion, intravenous, and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NO_x and F⁻.
PSA:	41.03000
LogP:	5.79490

Synthetic route

: 20662-53-7
4-(2-keto-1-benzimidazolinyl)piperidine

4-chloro-1,1-bis(4-fluorophenyl)butane: 4-chloro-1,1-bis(4-fluorophenyl)butane

: 2062-78-4
pimozide

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In 1,3-dioxolane-4-methanol at 80℃; for 7h;	97.5%

: 51787-79-2
1,1-bis(-4-fluorophenyl)-4-iodobutane

: 20662-53-7
4-(2-keto-1-benzimidazolinyl)piperidine

: 2062-78-4
pimozide

Conditions

Conditions	Yield
With sodium carbonate In dichloromethane; acetonitrile at 80℃; for 12h;	71%
With sodium carbonate In 1,2-dichloro-ethane; acetonitrile for 12h; Reflux; Inert atmosphere;	62%

: 61668-03-9
1,1'-(but-1-ene-4,4-diyl)bis(4-fluorobenzene)

: 2062-78-4
pimozide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: Schwartz's reagent / tetrahydrofuran / 2 h / 20 °C / Inert atmosphere 1.2: 0 - 20 °C / Inert atmosphere 2.1: sodium carbonate / acetonitrile; 1,2-dichloro-ethane / 12 h / Reflux; Inert atmosphere View Scheme

: 365-24-2
4,4'-difluorobenzhydryl alcohol

: 2062-78-4
pimozide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: iodine; 3-dodecyl-2-iodo-1-methyl-1H-imidazol-3-ium hexafluoroantimonate / nitromethane / 2 h / 20 °C / Inert atmosphere 2.1: Schwartz's reagent / tetrahydrofuran / 2 h / 20 °C / Inert atmosphere 2.2: 0 - 20 °C / Inert atmosphere 3.1: sodium carbonate / acetonitrile; 1,2-dichloro-ethane / 12 h / Reflux; Inert atmosphere View Scheme

: 1765-93-1
4-fluoroboronic acid

: 2062-78-4
pimozide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1,10-Phenanthroline; copper(II) bis(trifluoromethanesulfonate); fac-tris(2-phenylpyridinato-N,C2')iridium(III); sodium phosphate / acetonitrile / 48 h / 23 °C / Sealed tube; Inert atmosphere; Irradiation 2: 1H-imidazole; iodine; triphenylphosphine / dichloromethane / 0.5 h / 20 °C 3: sodium carbonate / acetonitrile; dichloromethane / 12 h / 80 °C View Scheme

: C18H23FNO(1+)*BF4(1-)

: 2062-78-4
pimozide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1,10-Phenanthroline; copper(II) bis(trifluoromethanesulfonate); fac-tris(2-phenylpyridinato-N,C2')iridium(III); sodium phosphate / acetonitrile / 48 h / 23 °C / Sealed tube; Inert atmosphere; Irradiation 2: 1H-imidazole; iodine; triphenylphosphine / dichloromethane / 0.5 h / 20 °C 3: sodium carbonate / acetonitrile; dichloromethane / 12 h / 80 °C View Scheme

Raw Materials

3312-04-7

20662-53-7

Total:67 Page 1 of 2 1 2 Next>>

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Chemistry

IUPAC Name: 3-[1-[4,4-bis(4-Fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
Synonyms: 1-[1-[4,4-Bis(p-Fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone ; 1-[4,4-Di-(4-Fluorophenyl)butyl]-4-(2-oxo-1-benzimidazolinyl)piperidine ; 1-{1-[4,4-Bis(4-Fluorophenyl)butyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one ; 1-{1-[4,4-bis(4-Fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
Product Categories: Organics;Dopamine receptor
CAS NO: 2062-78-4
Molecular Formula of Pimozide (CAS NO.2062-78-4) :C₂₈H₂₉F₂N₃O
Molecular Weight of Pimozide (CAS NO.2062-78-4) :461.55
Molecular structure of Pimozide (CAS NO.2062-78-4) :
EINECS: 218-171-7
Index of Refraction: 1.596
Surface Tension: 47.2 dyne/cm
Density: 1.224 g/cm³
Storage temp: 2-8°C
Solubility : DMSO: 18 mg/mL

Uses

Pimozide (CAS NO.2062-78-4) is used in its oral preparation in schizophrenia and chronic psychosis (on-label indications in Europe only), Tourette syndrome and resistant tics (Europe, USA and Canada). In Germany the 1mg tablet is indicated for the treatment of some forms of reactive depression.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	32mg/kg (32mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 106, 1974.
dog	LD50	oral	40mg/kg (40mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 261, 1968.
guinea pig	LD50	oral	189mg/kg (189mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 261, 1968.
man	TDLo	oral	7714ug/kg/15W (7.714mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FLUID INTAKE KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED	Journal of Clinical Pyschopharmacology. Vol. 12, Pg. 140, 1992.
mouse	LD50	intraperitoneal	1070mg/kg (1070mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 106, 1974.
mouse	LD50	intravenous	14mg/kg (14mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 288, 1972.
mouse	LD50	oral	228mg/kg (228mg/kg)	BEHAVIORAL: ATAXIA	Collection of Czechoslovak Chemical Communications. Vol. 42, Pg. 1179, 1977.
mouse	LD50	subcutaneous	> 16gm/kg (16000mg/kg)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE	Kiso to Rinsho. Clinical Report. Vol. 6, Pg. 629, 1972.
rabbit	LD50	intravenous	22mg/kg (22mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 106, 1974.
rabbit	LD50	oral	40mg/kg (40mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 106, 1974.
rat	LD50	intraperitoneal	350mg/kg (350mg/kg)		Drugs in Japan Vol. 6, Pg. 639, 1982.
rat	LD50	intravenous	90mg/kg (90mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 106, 1974.
rat	LD50	oral	1100mg/kg (1100mg/kg)		Drugs in Japan Vol. 6, Pg. 639, 1982.
rat	LD50	subcutaneous	> 11gm/kg (11000mg/kg)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE	Kiso to Rinsho. Clinical Report. Vol. 6, Pg. 629, 1972.

Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NO_x and F⁻.
Hazard Codes Harmful Xn
Risk Statements 22
R22:Harmful if swallowed.
Safety Statements 36
S36:Wear suitable protective clothing.
RIDADR 3249
WGK Germany 3
RTECS DE1750000
HazardClass 6.1(b)
PackingGroup III

Specification

Contraindications and precautions:
1.Contraindicated in patients taking citalopram (Celexa) and escitalopram (Lexapro) due to prolongation of the QTc interval, as per the FDA.
2.Patients with prominent agitation or anxiety
3.Depressed patients
4.Severe intoxication with alcohol, opiates, and psychoactive drugs (e.g. antidepressants, benzodiazepines)
5.Preexisting Parkinson's disease
6.Comedication with nefazodone, clarithromycin and vetoconazol (see below under interactions)
7.Caution: Anticonvulsive treatment in epileptic patients should not be interrupted. Pimozide may in principle lower the seizure-threshold.
8.Caution: Patients under 18 yrs. of age. Side-effects may be particularly frequent and severe. Treatment should be started with low initial dose and the dose increased very slowly.