Propicillin potassiumProduct ingredient for Propicillin
- Name
- Propicillin potassium
- Drug Entry
- Propicillin
- Accession Number
- DBSALT002660
- Structure
Structure for Propicillin potassium (DBSALT002660)
- Synonyms
- Phenoxypropylpenicillin potassium / Potassium phenoxypropylpenicillin / Potassium propicillin
- UNII
- 75RXW2P83Y
- CAS Number
- 1245-44-9
- Weight
- Average: 416.53
Monoisotopic: 416.08082445 - Chemical Formula
- C18H21KN2O5S
- InChI Key
- ULBKMFLWMIGVOJ-CFXUUZMDSA-M
- InChI
- InChI=1S/C18H22N2O5S.K/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20;/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24);/q;+1/p-1/t11?,12-,13+,16-;/m1./s1
- IUPAC Name
- potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- SMILES
- [K+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(CC)OC1=CC=CC=C1)C([O-])=O
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.145 mg/mL ALOGPS logP 2.2 ALOGPS logP 1.85 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 3.39 Chemaxon pKa (Strongest Basic) -4.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 98.77 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 105.62 m3·mol-1 Chemaxon Polarizability 37.28 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 Yes Chemaxon