Cefotiam hydrochloride

The Cefotiam dihydrochloride , with cas registry number of 66309-69-1, is a kind of Antibacterial or Drug / Therapeutic Agent. Its IUPAC name is called (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrochloride . The systematic name is (6R-trans)-7-(2-(2-Aminothiazol-4-yl)acetamido)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid dihydrochloride . Cefotiam dihydrochloride is white or light yellow crystal or crystalline powder, slight specific odor. It is soluble in water , methanol , insoluble in ethanol , practically insoluble in acetone , ethyl acetate , chloroform and cyclohexane .

Physical properties of Cefotiam dihydrochloride are: (1) ACD/LogP: 0.24 ; (2) # of Rule of 5 Violations: 2 ; (3) ACD/LogD (pH 5.5): -2.45 ; (4) ACD/LogD (pH 7.4): -2.33 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 1 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 13 ; (10) #H bond donors: 4 ; (11) #Freely Rotating Bonds: 10 ; (12) Enthalpy of Vaporization: 143.29 kJ/mol ; (13) Vapour Pressure: 0 mmHg at 25°C.

Preparation of Cefotiam dihydrochloride : This chemical can be prepared by several mature synthetic routes. Here will give you a one. It begins with dimethylamine . The route is below:

Uses of Cefotiam dihydrochloride : This product is a semisynthetic cephalosporin used as an antibiotic medicine. It is in the treatment of A variety of infections such as cholecystitis, peritonitis, pyelonephritis, cystitis,, caused by the staphylococcus, pneumococcus, influenza, Escherichia coli, Clay coli, and so on.

When you are using this chemical, please be cautious about it as the following:
The Cefotiam dihydrochloride is moderately toxic by intravenous route and mildly toxic by subcutaneous route. When heated to decomposition, it emits toxic fumes of SO_x, NO_x, and HCl.

You can still convert the following datas into molecular structure:
(1)InChI:InChI=1/C18H23N9O4S3.2ClH/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10;;/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31);2*1H/t12-,15-;;/m1../s1 ;
(2)Smiles:N12[C@@H]([C@@H](NC(Cc3nc(N)sc3)=O)C2=O)SCC(=C1C(O)=O)CSc1n(nnn1)CCN(C)C.Cl.Cl

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	3820ug/kg (3.82mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 439, 1981.
mouse	LD50	oral	> 20gm/kg (20000mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 439, 1981.
mouse	LD50	subcutaneous	7800mg/kg (7800mg/kg)		Drugs in Japan Vol. 6, Pg. 411, 1982.
rat	LD50	intravenous	3680mg/kg (3680mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 668, 1981.
rat	LD50	oral	> 20gm/kg (20000mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 439, 1981.
rat	LD50	subcutaneous	> 10gm/kg (10000mg/kg)		Drugs in Japan Vol. 6, Pg. 411, 1982.