Azlocillin sodiumProduct ingredient for Azlocillin

Name
Azlocillin sodium
Drug Entry
Azlocillin

Azlocillin is a semisynthetic ampicillin-derived acylureido penicillin.

Accession Number
DBSALT000431
Structure
Synonyms
Azlocillin sodium / Monosodium azlocillin / Sodium azlocillin
UNII
DWV1EFW947
CAS Number
37091-65-9
Weight
Average: 483.47
Monoisotopic: 483.1188489
Chemical Formula
C20H22N5NaO6S
InChI Key
UVOCNBWUHNCKJM-XFAPPKAWSA-M
InChI
InChI=1S/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1
IUPAC Name
sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILES
[Na+].[H][C@](NC(=O)N1CCNC1=O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C([O-])=O)C(C)(C)S[C@]12[H])C1=CC=CC=C1
PubChem Compound
23685176
ChemSpider
19960411
BindingDB
50247886
ChEBI
51864
ChEMBL
CHEMBL1201041
Wikipedia
Azlocillin
Predicted Properties
PropertyValueSource
Water Solubility1.61 mg/mLALOGPS
logP0.86ALOGPS
logP-0.33Chemaxon
logS-2.5ALOGPS
pKa (Strongest Acidic)3.49Chemaxon
pKa (Strongest Basic)-5.9Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area150.98 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity122.55 m3·mol-1Chemaxon
Polarizability44.51 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon