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10H-Phenothiazine-10-propanamine,2-methoxy-N,N,b-trimethyl-,hydrochloride (1:1), (bR)- (1236-99-3)

Identification
Name:10H-Phenothiazine-10-propanamine,2-methoxy-N,N,b-trimethyl-,hydrochloride (1:1), (bR)-
Synonyms:10H-Phenothiazine-10-propanamine,2-methoxy-N,N,b-trimethyl-,monohydrochloride, (R)-;10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,b-trimethyl-, monohydrochloride, (bR)- (9CI);Phenothiazine,10-[3-(dimethylamino)-2-methylpropyl]-2-methoxy-, monohydrochloride, (-)-(8CI);(-)-Methotrimeprazine hydrochloride;Levomepromazine hydrochloride;Levomepromazinium chloride;Levopromazine hydrochloride;Methotrimeprazinehydrochloride;Neurocil;
CAS:1236-99-3
EINECS: 214-978-3
Molecular Formula: C19H24N2OS.HCl
Molecular Weight: 364.9326
InChI: InChI=1/C19H24N2OS.ClH/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;/h5-11,14H,12-13H2,1-4H3;1H/t14-;/m1./s1
Molecular Structure: (C19H24N2OS.HCl) 10H-Phenothiazine-10-propanamine,2-methoxy-N,N,b-trimethyl-,monohydrochloride, (R)-;10H-Phenothiazin...
Properties
Density:g/cm3
Specification:

The Levomepromazine hydrochloride, with cas registry number 1236-99-3, has the systematic name of (2R)-3-(2-methoxy-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine hydrochloride (1:1). Besides this, it is also called (R)-2-Methoxy-N,N,b-trimethyl-10H-phenothiazine-10-propanamine Hydrochloride. What's more, its EINECS is 214-978-3.

Physical properties about this chemical are: (1)ACD/LogP: 4.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 41.01 Å2; (7)Flash Point: 236.8 °C; (8)Enthalpy of Vaporization: 73.01 kJ/mol; (9)Boiling Point: 468 °C at 760 mmHg; (10)Vapour Pressure: 6.22E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c2cc1N(c3c(Sc1cc2)cccc3)C[C@H](C)CN(C)C)C
(2)InChI: InChI=1/C19H24N2OS.ClH/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;/h5-11,14H,12-13H2,1-4H3;1H/t14-;/m1./s1
(3)InChIKey: ODLGFPIWRAEFAN-PFEQFJNWBU
(4)Std. InChI: InChI=1S/C19H24N2OS.ClH/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;/h5-11,14H,12-13H2,1-4H3;1H/t14-;/m1./s1
(5)Std. InChIKey: ODLGFPIWRAEFAN-PFEQFJNWSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 135mg/kg (135mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1852, 1966.
mouse LD50 intravenous 75mg/kg (75mg/kg) BEHAVIORAL: SLEEP Acta Pharmacologica et Toxicologica. Vol. 19, Pg. 87, 1962.
mouse LD50 oral 380mg/kg (380mg/kg)   Cesko-Slovenska Farmacie. Vol. 15, Pg. 455, 1966.
mouse LD50 subcutaneous 360mg/kg (360mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 155, Pg. 1029, 1961.

Safety Data
 

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