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| CAS No.: | 82547-58-8 |
|---|---|
| Name: | Cefteram pivoxil |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C16H17N9O5S2 |
| Molecular Weight: | 479.49 |
| Synonyms: | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-,[6R-[6a,7b(Z)]]-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-,(6R,7R)- (9CI);Antibiotic Ro 19-5247;Antibiotic T 2525;Cefteram;Cefterame;Ceftetrame;Ro 19-5247;T 2525; |
| Density: | 1.95 g/cm3 |
| Melting Point: | >175oC (dec.) |
| Solubility: | insoluble in water |
| Appearance: | white to yellow-white crystalline powder |
| Hazard Symbols: |
 Xn
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| Risk Codes: | R22; R37/38; R41 |
| PSA: | 244.35000 |
| LogP: | -0.28050 |
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Specification
This chemical is called Cefteram pivoxil, and its systematic name is (+)-(6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-((5-methyl-2H-tetrazol-2-yl)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime). With the molecular formula of C16H17N9O5S2, its product categories are β-Lactam Antibiotics; Antibiotics; Drugs. The CAS registry number of this chemical is 82547-58-8.
Other characteristics of the Cefteram pivoxil can be summarised as followings: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 14; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 201.78 Å2; (11)Index of Refraction: 1.901; (12)Molar Refractivity: 114.28 cm3; (13)Molar Volume: 245.3 cm3; (14)Polarizability: 45.3×10-24cm3; (15)Surface Tension: 98.3 dyne/cm; (16)Density: 1.95 g/cm3.
Production method of this chemical: 7-Aminocephalosporanic acid reacts with Tetrazolium compound in the Sulfolane which has Boron trifluorid-ether complex, getting the Compound (I). Then take it with trimethylsilyl through the alkylation, generating Complexes (Ⅱ). Its corresponding side chain with the presence of Phosphorus oxychloride have reaction in the Dimethylformamide, and get compounds (Ⅲ). Finally, it's hydrolyzed by the catalysis in the trifluoroacetic acid. You get the Cefteram pivoxil.
Uses of this chemical: To cure the acute bronchitis, pneumonia, gonococcal urethritis, cholecystitis, scarlet fever, pharyngitis, tonsillitis secondary infection, pyelonephritis caused by the susceptible. Its neopentyl ester can be taken orally.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)C(=N\OC)\c3nc(sc3)N)Cn4nc(nn4)C)C(=O)O
2.InChI: InChI=1/C16H17N9O5S2/c1-6-20-23-24(21-6)3-7-4-31-14-10(13(27)25(14)11(7)15(28)29)19-12(26)9(22-30-2)8-5-32-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b22-9+/t10-,14-/m1/s1
3.InChIKey: XSPUSVIQHBDITA-KXDGEKGBBO