Dicloxacillin sodium anhydrousProduct ingredient for Dicloxacillin

Name
Dicloxacillin sodium anhydrous
Drug Entry
Dicloxacillin

One of the penicillins which is resistant to penicillinase.

Accession Number
DBSALT000495
Structure
Synonyms
Dicloxacillin sodium anhydrous / Sodium dicloxacillin anhydrous
UNII
4CKS6MOL6Z
CAS Number
343-55-5
Weight
Average: 492.3
Monoisotopic: 491.0085415
Chemical Formula
C19H16Cl2N3NaO5S
InChI Key
GXOMMGAFBINOJY-SLINCCQESA-M
InChI
InChI=1S/C19H17Cl2N3O5S.Na/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);/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
SMILES
[Na+].[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
PubChem Compound
23667628
ChemSpider
58237
ChEBI
34691
ChEMBL
CHEMBL26570
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 FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon