| CAS Number | 1354396-23-8 |
| Catalog Number | AG01CCIK(AGN-PC-0WOYLQ) |
| Chemical Name | Ceftazidime Methyl Ester |
| IUPAC Name | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| InChI | InChI=1S/C23H24N6O7S2/c1-23(2,21(34)35-3)36-27-14(13-11-38-22(24)25-13)17(30)26-15-18(31)29-16(20(32)33)12(10-37-19(15)29)9-28-7-5-4-6-8-28/h4-8,11,15,19H,9-10H2,1-3H3,(H3-,24,25,26,30,32,33)/b27-14-/t15-,19-/m1/s1 |
| InChI Key | SQQLCFFMLJEMPT-CDOVDWRASA-N |
| MDL Number | MFCD21363487 |
| Molecular Formula | C23H24N6O7S2 |
| Molecular Weight | 560.6027 |
| SMILES | COC(=O)C(C)(C)ON=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]3ccccc3)c4csc(N)n4 |
| UNII | W0D5C285HM |
| Synonyms | Methyl ceftazidime,
Ceftazidime Methyl Ester,
UNII-W0D5C285HM,
W0D5C285HM,
1354396-23-8,
Ceftazidime impurity H [EP],
Ceftazidime Impurity H,
Ceftazidime pentahydrate impurity H [EP],
DTXSID20159347,
(6R,7R)-7-(((2Z)-2-(2-Aminothiazol-4-yl)-2-((2-methoxy-1,1-dimethyl-2-oxoethoxy)imino)acetyl)amino)-8-oxo-3-((pyridin-1-ium-1-yl)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate,
Pyridinium, 1-(((6R,7R)-7-(((2Z)-2-(2-amino-4-thiazolyl)-2-((2-methoxy-1,1-dimethyl-2-oxoethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt,
1-[[(6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-[[2-(methoxy)-1,1-dimethyl-2-oxoethoxy]imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridinium Inner Salt,
|
| Complexity | 1040 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 560.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 560.6g/mol |
| Monoisotopic Mass | 560.115g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 234A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number