Sulbenicillin sodiumProduct ingredient for Sulbenicillin
- Name
- Sulbenicillin sodium
- Drug Entry
- Sulbenicillin
- Accession Number
- DBSALT003099
- Structure
Structure for Sulbenicillin sodium (DBSALT003099)
- Synonyms
- Sulbenicillin disodium / Sulbenicillin sodium
- External IDs
- 253-025-6
- UNII
- 29SO9LIM1Q
- CAS Number
- 36417-90-0
- Weight
- Average: 458.41
Monoisotopic: 458.01943177 - Chemical Formula
- C16H16N2Na2O7S2
- InChI Key
- FWRNIJIOFYDBES-ZQDFAFASSA-L
- InChI
- InChI=1S/C16H18N2O7S2.2Na/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25);;/q;2*+1/p-2/t9-,10-,11+,14-;;/m1../s1
- IUPAC Name
- disodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2R)-2-phenyl-2-sulfonatoacetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- SMILES
- [Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@@H](C1=CC=CC=C1)S([O-])(=O)=O)C([O-])=O
- External Links
- ChemSpider
- 23089150
- ChEMBL
- CHEMBL3185827
- Predicted Properties
Property Value Source Water Solubility 1.05 mg/mL ALOGPS logP 1.92 ALOGPS logP 0.38 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) -1.1 Chemaxon pKa (Strongest Basic) -6.4 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 146.74 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 104.22 m3·mol-1 Chemaxon Polarizability 37.12 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon