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10H-Phenothiazine-10-propanamine,N,N-dimethyl-, hydrochloride (1:1) (53-60-1)

Identification
Name:10H-Phenothiazine-10-propanamine,N,N-dimethyl-, hydrochloride (1:1)
Synonyms:10H-Phenothiazine-10-propanamine,N,N-dimethyl-, monohydrochloride (9CI);Phenothiazine,10-[3-(dimethylamino)propyl]-, monohydrochloride (8CI);10-(g-Dimethylamino-n-propyl)phenothiazinehydrochloride;Esparinal;Liranol;Prolactyl;Promazine hydrochloride;Promazine monohydrochloride;Promwill;Propazin;Propazin (pharmaceutical);Propazine;Sparine;Talofen;
CAS:53-60-1
EINECS: 200-179-7
Molecular Formula: C17H20N2S.HCl
Molecular Weight: 320.91
InChI: InChI=1/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H
Molecular Structure: (C17H20N2S.HCl) 10H-Phenothiazine-10-propanamine,N,N-dimethyl-, monohydrochloride (9CI);Phenothiazine,10-[3-(dimethy...
Properties
Flash Point: 203.4°C
Boiling Point: 412.7°Cat760mmHg
Density:g/cm3
Solubility:In water, 14.2 mg/l @ 24 deg C
Specification:

The IUPAC name of Promazine hydrochloride is N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine hydrochloride. With the CAS registry number 53-60-1, it is also named as 10-(3-(Dimethylamino)propyl)phenothiazine hydrochloride; 10-H-Phenothiazine-10-propanamine, N,N-dimethyl-, monohydrochloride; Chlorowodorek promazyny; Phenothiazine, 10-(3-(dimethylamino)propyl)-, hydrochloride; Sparine. 

The Promazine hydrochloride is an active pharmaceutical ingredient. It is soluble in water, methanol, ethanol, chloroform, but insoluble in benzene and ether. When heated to decomposition it emits toxic fumes of NOx, SOx, and HCl. This product is harmful if swallowed. It may cause sensitization by skin contact. 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: 4.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 1.8; (6)ACD/BCF (pH 7.4): 21.22; (7)ACD/KOC (pH 5.5): 7.28; (8)ACD/KOC (pH 7.4): 85.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Enthalpy of Vaporization: 66.54 kJ/mol; (13)Vapour Pressure: 5.08E-07 mmHg at 25°C; (14)Rotatable Bond Count: 4; (15)Exact Mass: 320.111397; (16)MonoIsotopic Mass: 320.111397; (17)Topological Polar Surface Area: 31.8; (18)Heavy Atom Count: 21.

People can use the following data to convert to the molecule structure. SMILES: Cl.S2c1ccccc1N(c3c2cccc3)CCCN(C)C; InChI: InChI=1/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H. Promazine hydrochloride has many Changzhou Ilhang Fine Chemical Co., Ltd. and Changzhou Xixialong International Co., Ltd..

The following is the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intramuscular 4400ug/kg (4.4mg/kg)   "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. -, 1965.
human TDLo oral 20mg/kg/D-I (20mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR

BEHAVIORAL: ANTIPSYCHOTIC		 Journal of Nervous and Mental Disease. Vol. 123, Pg. 553, 1956.
 
mouse LD50 intramuscular 28mg/kg (28mg/kg)   Annales Pharmaceutic. Vol. 13, Pg. 51, 1978.
mouse LD50 intravenous 38mg/kg (38mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 42, 1972.
mouse LD50 subcutaneous 300mg/kg (300mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 42, 1972.
rabbit LD50 intravenous 21mg/kg (21mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 42, 1972.
rat LD50 intravenous 29mg/kg (29mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 42, 1972.
rat LD50 oral 400mg/kg (400mg/kg)   Fortschritte der Arzneimittelforschung. Progress in Drug Research. Vol. 5, Pg. 269, 1963.
rat LDLo intraperitoneal 356mg/kg (356mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Journal of Pharmaceutical Sciences. Vol. 54, Pg. 295, 1965.
 

Report:

Reported in EPA TSCA Inventory.

Flash Point: 203.4°C
Storage Temperature: 2-8°C
Color: Oily liq
Safety Data
Hazard Symbols Xn: Harmful
 

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