| CAS Number | 80370-59-8 |
| Catalog Number | AG00G56L(AGN-PC-0UGYXE) |
| Chemical Name | Desthiazoximic Acid Ceftiofur (>85%) |
| EC Number | 617-065-1 |
| IUPAC Name | (6R,7R)-7-amino-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChI | InChI=1S/C13H12N2O5S2/c14-8-10(16)15-9(12(17)18)6(4-21-11(8)15)5-22-13(19)7-2-1-3-20-7/h1-3,8,11H,4-5,14H2,(H,17,18)/t8-,11-/m1/s1 |
| InChI Key | ZMPDMYFTSINIIZ-LDYMZIIASA-N |
| MDL Number | MFCD31563354 |
| Molecular Formula | C13H12N2O5S2 |
| Molecular Weight | 340.3748 |
| SMILES | N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSC(=O)c3occc3 |
| Synonyms | Desthiazoximic Acid Ceftiofur,
80370-59-8,
SCHEMBL13900604,
DTXSID60459257,
ZINC34021099,
FT-0666281,
(6R,7R)-7-Amino-3-[[(2-furanylcarbonyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid,
CID 9902513,
CID11221491,
7-AMINO-3-(2-FUROYLTHIOMETHYL)-3-CEPHEM-4-CARBOXYLIC ACID,
|
| Complexity | 565 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.368g/mol |
| Monoisotopic Mass | 340.019g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 164A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number