| CAS Number | 229499-08-5 |
| Catalog Number | AG00C31X(AGN-PC-0WBMFN) |
| Chemical Name | δ2-Cefuroxime |
| IUPAC Name | (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid |
| InChI | InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,6,10-11,14H,5H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,11?,14-/m1/s1 |
| InChI Key | AIEMBSSBMKFDGU-YNZZGVKBSA-N |
| MDL Number | MFCD00022910 |
| Molecular Formula | C16H16N4O8S |
| Molecular Weight | 424.3852 |
| SMILES | CON=C(/C(=O)N[C@H]1[C@H]2SC=C(COC(=O)N)C(N2C1=O)C(=O)O)c3occc3 |
| Synonyms | 229499-08-5,
DELTA2-CEFUROXIME,
SCHEMBL4348018,
DTXSID30635369,
(6R,7R)-3-[(Carbamoyloxy)methyl]-7-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid,
| currency2-Cefuroxime,
(6R,7R)-3-[[(Aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-furanyl)-2-(methoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic Acid,
|
| Complexity | 785 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 424.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.384g/mol |
| Monoisotopic Mass | 424.069g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 199A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number