Ceftobiprole medocaril sodiumProduct ingredient for Ceftobiprole medocaril
- Name
- Ceftobiprole medocaril sodium
- Drug Entry
- Ceftobiprole medocaril
Ceftobiprole medocaril is a ceftobiprole prodrug.
- Accession Number
- DBSALT002833
- Structure
Structure for Ceftobiprole medocaril sodium (DBSALT002833)
- Synonyms
- Ceftobiprol medocaril sodium
- External IDs
- BAL-5788 / BAL-5788-001 / BAL5788 / BAL5788-001 / RO 65-5788 / RO-65-5788 / RO-655788
- UNII
- N99027V28J
- CAS Number
- 252188-71-9
- Weight
- Average: 712.64
Monoisotopic: 712.09819029 - Chemical Formula
- C26H25N8NaO11S2
- InChI Key
- MFAWUGGPPMTWPU-LCJFHXTKSA-M
- InChI
- InChI=1S/C26H26N8O11S2.Na/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18;/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31);/q;+1/p-1/b11-6+,30-15-;/t13-,16-,22-;/m1./s1
- IUPAC Name
- sodium (6R,7R)-7-[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(N-hydroxyimino)acetamido]-3-{[(3E,3'R)-1'-{[(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methoxy]carbonyl}-2-oxo-[1,3'-bipyrrolidin]-3-ylidene]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- SMILES
- [Na+].[H][C@@]1(NC(=O)C(=N/O)\C2=NSC(N)=N2)C(=O)N2C(C([O-])=O)=C(CS[C@]12[H])\C=C1/CCN(C1=O)[C@]1([H])CCN(C1)C(=O)OCC1=C(C)OC(=O)O1
- External Links
- ChemSpider
- 30791463
- Predicted Properties
Property Value Source Water Solubility 0.111 mg/mL ALOGPS logP 0.64 ALOGPS logP -0.97 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 3.19 Chemaxon pKa (Strongest Basic) 0.43 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 259.31 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 174.43 m3·mol-1 Chemaxon Polarizability 65.75 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon