| CAS Number | 72528-40-6 |
| Catalog Number | AG00FDYH(AGN-PC-0U0SU1) |
| Chemical Name | Cefadroxil ep impurity c:(6R,7R)-7-[[(2R)-2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| IUPAC Name | (6R,7R)-7-[[(2R)-2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChI | InChI=1S/C24H24N4O5S/c1-13-12-34-23-18(22(31)28(23)19(13)24(32)33)27-21(30)17(15-10-6-3-7-11-15)26-20(29)16(25)14-8-4-2-5-9-14/h2-11,16-18,23H,12,25H2,1H3,(H,26,29)(H,27,30)(H,32,33)/t16-,17-,18-,23-/m1/s1 |
| InChI Key | KXWHDOPHWKBQHB-YTSMVRMISA-N |
| MDL Number | MFCD21363516 |
| Molecular Formula | C24H24N4O5S |
| Molecular Weight | 480.5362 |
| SMILES | O=C(C(c1ccccc1)NC(=O)C(c1ccccc1)N)NC1C(=O)N2C1SCC(=C2C(=O)O)C |
| Synonyms | 72528-40-6,
Phenylglycylcefalexin,
Cephalexin Impurity C,
DTXSID80858304,
ZINC77312366,
FT-0673774,
(6R,7R)-7-{[(2R)-2-{[(2R)-2-Amino-2-phenylacetyl]amino}-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,
(6R-trans)-D-2-Phenylglycyl-N-(2-carboxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-D-2-phenylglycinamide,
D-Phenylglycyl Cephalexin,
|
| Complexity | 865 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 480.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 480.539g/mol |
| Monoisotopic Mass | 480.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number