| CAS Number | 1356842-10-8 |
| Catalog Number | AG009EIS(AGN-PC-0WBMOT) |
| Chemical Name | (6R,7R)-7-(4-Hydroxyisoxazole-3-carboxamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid |
| IUPAC Name | (6R,7R)-3-ethenyl-7-[(4-hydroxy-1,2-oxazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChI | InChI=1S/C13H11N3O6S/c1-2-5-4-23-12-8(11(19)16(12)9(5)13(20)21)14-10(18)7-6(17)3-22-15-7/h2-3,8,12,17H,1,4H2,(H,14,18)(H,20,21)/t8-,12-/m1/s1 |
| InChI Key | FDZFCJHOKSKSPM-PRHODGIISA-N |
| Molecular Formula | C5H10ClNO4 |
| Molecular Weight | 183.5902 |
| SMILES | OC(=O)C[C@](C(=O)O)(N)C.Cl |
| UNII | 0788M5CZWL |
| Synonyms | UNII-0788M5CZWL,
0788M5CZWL,
1356842-10-8,
Cefdinir isoxazole analog,
7-(4-Hydroxyisoxazole-3-carboxamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-,
Cefdinir impurity F,
(6R,7R)-7-(4-Hydroxyisoxazole-3-carboxamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid,
(6R,7R)-7-(4-Hydroxyisoxazole-3-carboxamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid,
SCHEMBL5303888,
DTXSID10159492,
ZINC65742911,
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((4,5-dihydro-4-oxo-3-isoxazolyl)carbonyl)amino)-3-ethenyl-8-oxo-, (6R,7R)-,
|
| Complexity | 621 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.306g/mol |
| Monoisotopic Mass | 337.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 158A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number