METHICILLIN SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII AO9YF4MN30
EPA CompTox DTXSID5045835

Structure

InChI Key NRZPASQBOYNGHR-HWROMZCQSA-M
Smiles COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+]
InChI
InChI=1S/C17H20N2O6S.Na.H2O/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);;1H2/q;+1;/p-1/t11-,12+,15-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H21N2NaO7S
Molecular Weight 420.42
AlogP 0.95
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 105.17
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

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

Cross References

Resources Reference
ChEBI 34836
ChEMBL CHEMBL3181832
FDA SRS AO9YF4MN30
KEGG C13973
PDB MII
PubChem 23678596
SureChEMBL SCHEMBL718655
ZINC ZINC03831070
CONTENTS