Pheneticillin potassiumProduct ingredient for Pheneticillin

Name
Pheneticillin potassium
Drug Entry
Pheneticillin

Pheneticillin (or phenethicillin) is a penicillin antibiotic which is approved for use internationally.

Accession Number
DBSALT002659
Structure
Synonyms
6-(A-Phenoxypropionamido)penicillanic acid potassium salt / A-Phenoxyethylpenicillinic acid potassium salt
UNII
70978WUK7C
CAS Number
132-93-4
Weight
Average: 402.51
Monoisotopic: 402.06517438
Chemical Formula
C17H19KN2O5S
InChI Key
ORMNNUPLFAPCFD-DVLYDCSHSA-M
InChI
InChI=1S/C17H20N2O5S.K/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19;/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23);/q;+1/p-1/t9?,11-,12+,15-;/m1./s1
IUPAC Name
potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanamido)-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(C)OC1=CC=CC=C1)C([O-])=O
KEGG Drug
D01178
ChemSpider
391971
ChEBI
31987
ChEMBL
CHEMBL2364720
Predicted Properties
PropertyValueSource
Water Solubility0.297 mg/mLALOGPS
logP1.97ALOGPS
logP1.33Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)3.47Chemaxon
pKa (Strongest Basic)-4.9Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area98.77 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity101.1 m3·mol-1Chemaxon
Polarizability35.66 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon