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
Thumb
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