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Cefotiam hydrochloride

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Name

Cefotiam hydrochloride

EINECS 266-312-6
CAS No. 66309-69-1 Density N/A
PSA 251.30000 LogP 1.05880
Solubility Soluble in water Melting Point N/A
Formula C18H23N9O4S3. 2ClH Boiling Point 940 °C at 760 mmHg
Molecular Weight 562.08900 Flash Point 522.3 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 66309-69-1 (Cefotiam hydrochloride) Hazard Symbols Xi
Synonyms

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,dihydrochloride, (6R,7R)- (9CI);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-,dihydrochloride, (6R-trans)-;Abbott 48999;Cefotiam dihydrochloride;Ceradon;HAR;HNP;Halospor;KMS;Pansporin;Pansporine;SEP;SFP;Spizef;Sporidyn;

 

Cefotiam hydrochloride Specification

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 SOx, NOx, 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.

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