CLOXACILLIN SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1974)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 65LCB00B4Y
Parent Compound: CLOXACILLIN

Structure
InChI Key KCUWTKOTPIUBRI-VICXVTCVSA-M
Smile Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.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

Action Mechanism of Action Reference
INHIBITOR Penicillin-binding protein 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Enterobacteriaceae Infections 3 D004756 ClinicalTrials
Mastitis 2 D008413 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Investigations
29.09
Hepatobiliary disorders
21.82
Renal and urinary disorders
12.73
Skin and subcutaneous tissue disorders
9.09
Blood and lymphatic system disorders
7.27
Gastrointestinal disorders
3.64
Nervous system disorders
3.64
Respiratory, thoracic and mediastinal disorders
3.64
Surgical and medical procedures
3.64

Cross References

Resources Reference
ChEBI 34978
ChEMBL CHEMBL1200388
EPA CompTox DTXSID60110018
FDA SRS 65LCB00B4Y
KEGG C14010
PubChem 23675743
SureChEMBL SCHEMBL41012
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