CAS No.69-09-0,Chlorpromazine hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	69-09-0
Name:	Chlorpromazine hydrochloride
Article Data:	3

Formula:	C₁₇H₁₉ClN₂S.HCl
Molecular Weight:	355.331
Synonyms:	10H-Phenothiazine-10-propanamine,2-chloro-N,N-dimethyl-, monohydrochloride (9CI);Phenothiazine,2-chloro-10-[3-(dimethylamino)propyl]-, monohydrochloride (8CI);2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride;Aminazin monohydrochloride;Chloractil;Hebanil;Hibanil;Hibernal;Klorproman;Klorpromex;Largactil;Largaktyl;Marazine;Megatil;Norcozine;Promacid;Propaphen;
EINECS:	200-701-3
Density:	1.077 g/cm3 (15 C)
Melting Point:	192-196 °C
Boiling Point:	450.1 °C at 760 mmHg
Flash Point:	226 °C
Solubility:	>=10 g/100 mL at 24 °C
Appearance:	creamy white crystalline powder
Hazard Symbols:	T+
Risk Codes:	25-26
Safety:	28-36/37-45
Transport Information:	UN 2811 6.1/PG 1
PSA:	31.78000
LogP:	5.76140

Synthetic route

: 92-39-7
2-chlorophenothiazine

: 5407-04-5
3-(dimethylamino)propyl chloride hydrochloride

: 69-09-0
chlorpromazine hydrochloride

Conditions

Conditions	Yield
With potassium hydroxide; Aliquat 336 at 80℃; for 1h;	85%

: oxovanadium(IV) sulfate

: 50-53-3
chloropromazine cation radical

A: 69-09-0
chlorpromazine hydrochloride

B: vanadium(5+)

Conditions

Conditions	Yield
In water Kinetics; deoxygenated solutions, 25.0-38.7°C, 0.1 to 1.0 M - H(1+); not isolated, detd. by stopped-flow UV/VIS spectroscopy;

...Expand

: 69-09-0
chlorpromazine hydrochloride

: 969-99-3
chlorpromazine sulfoxide

Conditions

Conditions	Yield
With oxygen; nitrogen(II) oxide In acetonitrile for 2h; -20 deg C -> room temperature;	100%
With oxygen In acetonitrile for 2h; Product distribution; -20 deg C -> room temperature; aerial oxidation of various phenothiazines and related compounds catalysed by nitrogen oxides, possible mechanism, intermediate cation radicals;	100%
With ethanol; dihydrogen peroxide

: 7732-18-5
water

: 69-09-0
chlorpromazine hydrochloride

: potassium hexacyanoferrate(III)

: chlorpromazinium ferricyanide monohydrate

Conditions

Conditions	Yield
In water E-2 M solns. were mixed; ppt. was filtered, thoroughly washed with distd. water, dried at room temp., elem. anal.;	99.5%

...Expand

: ammonium tetrathiocyanodiamminochromate(III) monohydrate

: 69-09-0
chlorpromazine hydrochloride

: chlorpromazinium reineckate

Conditions

Conditions	Yield
In water E-2 M solns. were mixed; ppt. was filtered, thoroughly washed with distd. water, dried at room temp., elem. anal.;	99.5%

: sodium hexanitro cobaltate(III)

: 69-09-0
chlorpromazine hydrochloride

: chlorpromazinium cobaltnitrite

Conditions

Conditions	Yield
In water E-2 M solns. were mixed; ppt. was filtered, thoroughly washed with distd. water, dried at room temp., elem. anal.;	99.5%

: 69-09-0
chlorpromazine hydrochloride

: 74-88-4
methyl iodide

: 362-02-7
SKF 2680J

Conditions

Conditions	Yield
Stage #1: chlorpromazine hydrochloride With sodium hydroxide In diethyl ether Stage #2: methyl iodide In acetonitrile Reflux; Darkness;	99%

: 69-09-0
chlorpromazine hydrochloride

: chloropromazine radical cation

Conditions

Conditions	Yield
With potassium thioacyanate In water Rate constant; Ambient temperature; with different oxidizing agents, salt concentration, and various pH range;	97%

: 69-09-0
chlorpromazine hydrochloride

: 316-07-4
2-chloro-10-(3-dimethylaminopropyl)phenothiazine 5-oxide hydrochloride

Conditions

Conditions	Yield
With dihydrogen peroxide In ethanol a) RT, overnight, b) reflux, 2 h;	95.5%
With hydrogenchloride; potassium metaperiodate In water Ambient temperature;
With n-C4F9; perfluoro-cis-2,3-dialkyloxaziridine; n-C3F7 In various solvent(s) at -40℃; for 0.5h; Yield given;

: 74-96-4
ethyl bromide

: 69-09-0
chlorpromazine hydrochloride

: 153871-17-1
3-(2-chloro-10H-phenothiazin-10-yl)-N-ethyl-N,N-dimethylpropan-1-aminium bromide

Conditions

Conditions	Yield
Stage #1: chlorpromazine hydrochloride With sodium hydroxide In diethyl ether Stage #2: ethyl bromide In acetonitrile Reflux; Darkness;	93%

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Chloropromazine hydrochloride is 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine hydrochloride. With the CAS registry number 69-09-0, it is also named as 10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride; Aminazin monohydrochloride; Fenactil monohydrochloride; Lomazine; Megaphen hydrochloride; Plegomazin; Tranzine; Phenothiazine, 2-chloro-10-(3-(dimethylamino)propyl)-, monohydrochloride. This product belongs to intermediates & fine chemicals and pharmaceuticals.

The Chloropromazine hydrochloride is white or creamy-white odorless crystalline powder with very bitter taste. It can be used as an Antiemetic and Antipsychotic. And it may decompose on exposure to air and light. In addition, it is incompatible in aqueous solution with sodium salts of barbiturates and other alkaline solutions. Solutions may be stabilized by addition of antioxidants and storing under nitrogen.

This chemical is toxic if swallowed and inhalation. After contact with skin, wash immediately with plenty of soap-suds. If you want to contact this product, you must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 4.93; (6)ACD/BCF (pH 7.4): 60.69; (7)ACD/KOC (pH 5.5): 15; (8)ACD/KOC (pH 7.4): 184.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Enthalpy of Vaporization: 70.89 kJ/mol; (13)Vapour Pressure: 2.72E-08 mmHg at 25°C; (14)Rotatable Bond Count: 4; (15)Exact Mass: 354.072425; (16)MonoIsotopic Mass: 354.072425; (17)Topological Polar Surface Area: 31.8; (18)Heavy Atom Count: 22 ; (19)Complexity: 339.

People can use the following data to convert to the molecule structure. SMILES: Cl.Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C; InChI: InChI=1/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H.

The following is the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
chicken	LD50	intraperitoneal	160mg/kg (160mg/kg)		Toxicology and Applied Pharmacology. Vol. 2, Pg. 558, 1960.
chicken	LD50	intravenous	28mg/kg (28mg/kg)		Toxicology and Applied Pharmacology. Vol. 2, Pg. 558, 1960.
guinea pig	LD50	intraperitoneal	109mg/kg (109mg/kg)		Pharmazie. Vol. 38, Pg. 749, 1983.
guinea pig	LD50	subcutaneous	420mg/kg (420mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 375, 1962.
man	TDLo	intravenous	1786ug/kg/2D- (1.786mg/kg)	BEHAVIORAL: IRRITABILITY LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION SKIN AND APPENDAGES (SKIN): SWEATING: OTHER	Biological Psychiatry. Vol. 18, Pg. 1441, 1983.
man	TDLo	oral	6071ug/kg (6.071mg/kg)		Israel Journal of Medical Sciences. Vol. 5, Pg. 1254, 1969.
man	TDLo	oral	18mg/kg (18mg/kg)		Israel Journal of Medical Sciences. Vol. 5, Pg. 1254, 1969.
monkey	LDLo	oral	> 30mg/kg (30mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: REGIDITY BEHAVIORAL: MUSCLE WEAKNESS	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 122, Pg. 129, 1959.
mouse	LC50	inhalation	40mg/m³/2H (40mg/m³)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1106, 1986.
mouse	LD50	intraperitoneal	92200ug/kg (92.2mg/kg)		Toxicology and Applied Pharmacology. Vol. 2, Pg. 558, 1960.
mouse	LD50	intravenous	20mg/kg (20mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 808, 1971.
mouse	LD50	oral	135mg/kg (135mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: REGIDITY BEHAVIORAL: ALTERATION OF CLASSICAL CONDITIONING	Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 1179, 1976.
mouse	LD50	subcutaneous	420mg/kg (420mg/kg)		British Journal of Pharmacology and Chemotherapy. Vol. 22, Pg. 301, 1964.
rabbit	LD50	intravenous	5mg/kg (5mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 15, 1972.
rat	LC50	inhalation	40mg/m3/2H (40mg/m3)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1106, 1986.
rat	LD50	intraperitoneal	62mg/kg (62mg/kg)		Psychopharmacologia Vol. 12, Pg. 142, 1968.
rat	LD50	intravenous	25mg/kg (25mg/kg)		Fortschritte der Arzneimittelforschung. Progress in Drug Research. Vol. 5, Pg. 269, 1963.
rat	LD50	oral	145mg/kg (145mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 148, Pg. 151, 1965.
rat	LD50	unreported	90mg/kg (90mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 15, 1972.
women	TDLo	intravenous	822ug/kg (0.822mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP	Annals of Emergency Medicine. Vol. 17, Pg. 380, 1988.
women	TDLo	oral	6mg/kg (6mg/kg)	BEHAVIORAL: ANOREXIA (HUMAN GASTROINTESTINAL: OTHER CHANGES	Postgraduate Medical Journal. Vol. 60, Pg. 564, 1984.
women	TDLo	oral	35gm/kg/16Y-I (35000mg/kg)	BEHAVIORAL: REGIDITY CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Biological Psychiatry. Vol. 18, Pg. 1441, 1983.