Ceftaroline fosamil acetate monohydrateProduct ingredient for Ceftaroline fosamil
- Name
- Ceftaroline fosamil acetate monohydrate
- Drug Entry
- Ceftaroline fosamil
Ceftaroline fosamil is a cephalosporin antibacterial indicated for the treatment of the following infections caused by designated susceptible bacteria: Acute bacterial skin and skin structure infections. Community-acquired bacterial pneumonia.
- Accession Number
- DBSALT001809
- Structure
Structure for Ceftaroline fosamil acetate monohydrate (DBSALT001809)
- Synonyms
- Ceftaroine / Ceftaroline fosamil acetate hydrate / Ceftaroline fosamil monoacetate monohydrate
- UNII
- P9VXV1408Y
- CAS Number
- 400827-55-6
- Weight
- Average: 762.74
Monoisotopic: 762.041975415 - Chemical Formula
- C24H27N8O11PS4
- InChI Key
- KRWPPVCZNGQQHZ-IINIBMQSSA-N
- InChI
- InChI=1S/C22H21N8O8PS4.C2H4O2.H2O/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10;1-2(3)4;/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37);1H3,(H,3,4);1H2/b26-13-;;/t14-,19-;;/m1../s1
- IUPAC Name
- 4-(2-{[(6R,7R)-2-carboxylato-7-[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-methylpyridin-1-ium acetic acid hydrate
- SMILES
- O.CC(O)=O.[H][C@]12SCC(SC3=NC(=CS3)C3=CC=[N+](C)C=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\C1=NSC(NP(O)(O)=O)=N1)C([O-])=O
- External Links
- KEGG Drug
- D08884
- ChemSpider
- 13137622
- ChEBI
- 70714
- ChEMBL
- CHEMBL3544973
- Predicted Properties
Property Value Source Water Solubility 0.0245 mg/mL ALOGPS logP -0.79 ALOGPS logP -3.7 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 1.8 Chemaxon pKa (Strongest Basic) 0.39 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 223.24 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 171.63 m3·mol-1 Chemaxon Polarizability 63.9 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon