DICLOXACILLIN SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1968)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 4HZT2V9KX0
Parent Compound: DICLOXACILLIN

Structure
InChI Key SIGZQNJITOWQEF-VICXVTCVSA-M
Smile Cc1onc(-c2c(Cl)cccc2Cl)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/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

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H18Cl2N3NaO6S
Molecular Weight 510.33
AlogP 3.2
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 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Penicillin-binding protein inhibitor PubMed PubMed
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
- 1995 - 1550 10

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
15.47
General disorders and administration site conditions
13.0
Immune system disorders
11.01
Gastrointestinal disorders
8.29
Renal and urinary disorders
6.19
Injury, poisoning and procedural complications
5.82
Nervous system disorders
5.57
Cardiac disorders
5.32
Investigations
5.07
Respiratory, thoracic and mediastinal disorders
4.95
Vascular disorders
4.95
Musculoskeletal and connective tissue disorders
3.47
Infections and infestations
2.97

Cross References

Resources Reference
ChEBI 52019
ChEMBL CHEMBL1200701
EPA CompTox DTXSID2049002
FDA SRS 4HZT2V9KX0
KEGG C13756
PubChem 23675786
SureChEMBL SCHEMBL41515
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