| CAS Number | 1000980-60-8 |
| Catalog Number | AG008X8H(AGN-PC-0WH1TM) |
| Chemical Name | Delta2-Ceftazidime (>80%) |
| IUPAC Name | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate |
| InChI | InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,9-10,14-15,18H,8H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,15?,18-/m1/s1 |
| InChI Key | LRKHKETXQNDOKF-YTAHGSIGSA-N |
| MDL Number | MFCD21363482 |
| Molecular Formula | C22H22N6O7S2 |
| Molecular Weight | 546.5761 |
| SMILES | CC(C)(ON=C(/C(=O)N[C@H]1[C@H]2SC=C(C[n+]3ccccc3)C(N2C1=O)C(=O)[O-])c4csc(N)n4)C(=O)O |
| Synonyms | delta-2-Ceftazidime,
1000980-60-8,
DTXSID60142935,
217796-42-4,
AKOS025394532,
1-[[(2R,6R,7R)-7-[[(2Z)-2-(2-AMINO-4-THIAZOLYL)-2-[(1-CARBOXY-1-METHYLETHOXY)IMINO]ACETYL]AMINO]-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-3-EN-3-YL]METHYL]PYRIDINIUM,
| currency2-Ceftazidime,
Ceftazidime EP Impurity A,
UNII-97OBN5O836,
97OBN5O836,
|
| Complexity | 1010 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 546.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 546.573g/mol |
| Monoisotopic Mass | 546.099g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 245A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number