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CAS No.: | 58-33-3 |
---|---|
Name: | Promethazine hydrochloride |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C17H20N2S.HCl |
Molecular Weight: | 320.886 |
Synonyms: | Phenothiazine, 10-[2-(dimethylamino)propyl]-, monohydrochloride (8CI);10-[2-(Dimethylamino)propyl]phenothiazine hydrochloride;Anergan 25;Diprazin;Dorme;Fenazil;Genphen;Himazin;Lergigan;Mepergan;NSC 231688;PhanerganD;Phencen;Phenergan;Phenergan VC;Plletia;Promasun;Prorex;Provigan;Pyrethia;Romergan; |
EINECS: | 200-375-2 |
Density: | 1.131 g/cm3 |
Melting Point: | 230-232°C |
Boiling Point: | 403.7 °C at 760 mmHg |
Flash Point: | 198 °C |
Appearance: | white to faint yellow crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36 |
Transport Information: | UN 2811 6.1/PG 3 |
PSA: | 31.78000 |
LogP: | 5.10640 |
Conditions | Yield |
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With oxygen; cis-nitrous acid at -20℃; citric buffer, pH 3; | 100% |
With hydrogenchloride; potassium iodate; sodium hydroxide In water at 25℃; for 0.166667h; Temperature; |
Conditions | Yield |
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In water E-2 M solns. were mixed; ppt. was filtered, thoroughly washed with distd. water, dried at room temp., elem. anal.; | 99.5% |
Conditions | Yield |
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In water E-2 M solns. were mixed; ppt. was filtered, thoroughly washed with distd. water, dried at room temp., elem. anal.; | 99.5% |
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% |
Conditions | Yield |
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In water; acetone at 20℃; | 99% |
Conditions | Yield |
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With sodium hydrogencarbonate In dichloromethane; water Reagent/catalyst; | 96% |
With sodium hydroxide In diethyl ether Purification / work up; | 90% |
Conditions | Yield |
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In hydrogenchloride; water stirring (ambient temp., 1 h); pptn. on cooling (4°C), washing (water, MeOH), drying (vac.), recrystn. (MeOH); elem. anal.; | 88.5% |
Conditions | Yield |
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With trichlorophosphate at 0 - 90℃; for 46h; Vilsmeier Reaction; Inert atmosphere; | 88% |
Conditions | Yield |
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In methanol slow addn. of soln. of ZnCl2 to soln. of ligand (room temp.), stirring (1 h), conctg. (reduced pressure), storing (overnight at 4°C); decanting viscous liq., redissolving in methanol with stirring at 60°C, suction filtn., washing (2-3 times, cold methanol), drying (air),drying (vac.), recrystn. (hot methanol), elem. anal.; | 76.8% |
yttrium(III) nitrate
phenergan
Conditions | Yield |
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In ethanol refluxing (2 h); pptn. on cooling, washing (EtOH), drying (vac.); elem. anal.; | 70% |
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The IUPAC name of Promethazine hydrochloride is N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine hydrochloride . With the CAS registry number 58-33-3, it is also named as (+-)-10-(2-(Dimethylamino)propyl)phenothiazine monohydrochloride; Allerfen; Eusedon Mono; Mymethazine Fortis; Phenothiazine, 10-(2-(dimethylamino)propyl)-, monohydrochloride; PMS Promethazine. The product's categories are active pharmaceutical ingredients, intermediates & fine chemicals, pharmaceuticals, sulfur & selenium compounds and histamine receptor.
The Promethazine hydrochloride is white to faint yellow crystalline powder with bitter taste. It can oxidize slowly in air, acquiring a blue color. In addition, it is incompatible with alkalis and alkaline solutions such as those of aminophylline, soluble barbiturates and phenytoin sodium. Iron(III) and copper(III) accelerate the degradation. The Promethazine hydrochloride must be kept in a sealed container which is placed in a cool, well-ventilated area. It can be used as antihistaminic, antiemetic and CNS depressant.
The Promethazine hydrochloride is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 3.07; (6)ACD/BCF (pH 7.4): 83.45; (7)ACD/KOC (pH 5.5): 11.53; (8)ACD/KOC (pH 7.4): 313.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Enthalpy of Vaporization: 65.51 kJ/mol; (13)Vapour Pressure: 9.96E-07 mmHg at 25°C; (14)Rotatable Bond Count: 3; (15)Exact Mass: 320.111397; (16)MonoIsotopic Mass: 320.111397; (17)Topological Polar Surface Area: 31.8; (18)Heavy Atom Count: 21; (19)Complexity: 298.
People can use the following data to convert to the molecule structure. SMILES: Cl.S2c1ccccc1N(c3c2cccc3)CC(N(C)C)C; InChI: InChI=1/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H. Promethazine hydrochloride has many suppliers, such as Ningbo Hi-Tech Biochemicals Co., Ltd., Changzhou Ilhang Fine Chemical Co., Ltd. and Hubei Hengshuo Chemical Co., Ltd..
The following is the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
child | TDLo | oral | 20mg/kg (20mg/kg) | BEHAVIORAL: EXCITEMENT BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: STIFFNESS | Lancet. Vol. 1, Pg. 368, 1980. |
dog | LD50 | subcutaneous | 250mg/kg (250mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 54, Pg. 688, 1958. | |
guinea pig | LD50 | intraperitoneal | 35mg/kg (35mg/kg) | Pharmazie. Vol. 38, Pg. 749, 1983. | |
guinea pig | LD50 | intravenous | 42500ug/kg (42.5mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 113, Pg. 313, 1958. | |
human | TDLo | oral | 3500ug/kg/D (3.5mg/kg) | BEHAVIORAL: SLEEP BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: REGIDITY | American Journal of Psychiatry. Vol. 113, Pg. 654, 1957. |
mouse | LD50 | intraperitoneal | 160mg/kg (160mg/kg) | Cesko-Slovenska Farmacie. Vol. 15, Pg. 526, 1966. | |
mouse | LD50 | intravenous | 50mg/kg (50mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 340, 1953. | |
mouse | LD50 | oral | 255mg/kg (255mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 364, 1962. |
mouse | LD50 | subcutaneous | 240mg/kg (240mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 375, 1980. | |
rat | LD50 | intraperitoneal | 170mg/kg (170mg/kg) | Cesko-Slovenska Farmacie. Vol. 15, Pg. 526, 1966. | |
rat | LD50 | intravenous | 15mg/kg (15mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 375, 1980. | |
rat | LD50 | subcutaneous | 400mg/kg (400mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 375, 1980. |