OXACILLIN SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII G0V6C994Q5
EPA CompTox DTXSID50273924
Parent Compound: OXACILLIN

Structure

InChI Key ZVIYWUUZWWBNMB-VICXVTCVSA-M
Smiles Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+]
InChI
InChI=1S/C19H19N3O5S.Na.H2O/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20N3NaO6S
Molecular Weight 441.44
AlogP 1.9
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 28.0

Pharmacology

Mechanism of Action Action Reference
Penicillin-binding protein inhibitor INHIBITOR PubMed

Cross References

Resources Reference
ChEBI 7810
ChEMBL CHEMBL3989567
FDA SRS G0V6C994Q5
PubChem 23694213
SureChEMBL SCHEMBL720235
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