Basic information
- Name:
Cefpodoxime
- CAS No.:
80210-62-4
- Molecular Structure:
- Formula:
- C15H17N5O6S2
- Molecular Weight:
- 427.46
- Synonyms:
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(methoxymethyl)-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-(methoxymethyl)-8-oxo-,(6R,7R)- (9CI);Cefpodoxime acid;R 3763;
- Density:
- 1.785 g/cm3
- Melting Point:
- 200-202 °C
- Appearance:
- off-white solid
- particular:
- particular
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Specification
The Cefpodoxime, with the CAS registry number 80210-62-4, is also known as 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-,(6R,7R)-. It belongs to the product categories of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Heterocycles; Sulfur & Selenium Compounds. This chemical's molecular formula is C15H17N5O6S2 and molecular weight is 427.46. What's more, its systematic name is (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Cefpodoxime is an oral third generation cephalosporin antibiotic. It is marketed as the prodrug cefpodoxime proxetil by Pharmacia & Upjohn under the trade name Vantin. It is commonly used to treat acute otitis media, pharyngitis, and sinusitis. This chemical also finds use as oral continuation therapy when intravenous cephalosporins (such as ceftriaxone) are no longer necessary for continued treatment.
Physical properties of Cefpodoxime are: (1)ACD/LogP: 0.938; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.80; (4)ACD/LogD (pH 7.4): -2.81; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 209.98 Å2; (13)Index of Refraction: 1.78; (14)Molar Refractivity: 100.498 cm3; (15)Molar Volume: 239.526 cm3; (16)Polarizability: 39.84×10-24cm3; (17)Surface Tension: 79.25 dyne/cm; (18)Density: 1.785 g/cm3.
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)COC)C(=O)O
(2)Std. InChI: InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1
(3)Std. InChIKey: WYUSVOMTXWRGEK-HBWVYFAYSA-N