Dicloxacillin sodiumProduct ingredient for Dicloxacillin

Name
Dicloxacillin sodium
Drug Entry
Dicloxacillin

One of the penicillins which is resistant to penicillinase.

Accession Number
DBSALT001622
Structure
Thumb
Synonyms
Dicloxacillin sodium / Dicloxacillin sodium hydrate / Dicloxacillin sodium monohydrate / Dicloxacillin sodium salt hydrate / Sodium dicloxacillin
UNII
4HZT2V9KX0
CAS Number
13412-64-1
Weight
Average: 510.32
Monoisotopic: 509.0191062
Chemical Formula
C19H18Cl2N3NaO6S
InChI Key
SIGZQNJITOWQEF-VICXVTCVSA-M
InChI
InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
IUPAC Name
sodium (2S,5R,6R)-6-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate
SMILES
[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1Cl)C([O-])=O
KEGG Drug
D02137
KEGG Compound
C13756
ChemSpider
24187
BindingDB
50005106
ChEBI
52019
ChEMBL
CHEMBL1200701
Wikipedia
Dicloxacillin
Predicted Properties
PropertyValueSource
Water Solubility0.0335 mg/mLALOGPS
logP3.51ALOGPS
logP2.91ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)3.75ChemAxon
pKa (Strongest Basic)-0.71ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area115.57 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity122.28 m3·mol-1ChemAxon
Polarizability42.56 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon