CLOXACILLIN SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 65LCB00B4Y
EPA CompTox DTXSID60110018
Parent Compound: CLOXACILLIN

Structure

InChI Key KCUWTKOTPIUBRI-VICXVTCVSA-M
Smiles Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+]
InChI
InChI=1S/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19ClN3NaO6S
Molecular Weight 475.89
AlogP 2.55
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 112.74
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Penicillin-binding protein inhibitor INHIBITOR ISBN PubMed Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 47.3-63.22
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 47.3-63.22

Cross References

Resources Reference
ChEBI 34978
ChEMBL CHEMBL1200388
FDA SRS 65LCB00B4Y
KEGG C14010
PubChem 23675743
SureChEMBL SCHEMBL41012
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