CEPHAPIRIN SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 431LFF7I7J
EPA CompTox DTXSID7045574

Structure

InChI Key VGEOUKPOQQEQSX-OALZAMAHSA-M
Smiles CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.[Na+]
InChI
InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H16N3NaO6S2
Molecular Weight 445.45
AlogP 0.48
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 125.9
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR ISBN DailyMed
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
- - - - 85.65-94.33
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 85.65-94.33

Cross References

Resources Reference
ChEBI 3545
ChEMBL CHEMBL1201043
FDA SRS 431LFF7I7J
KEGG C08101
PubChem 23675312
SureChEMBL SCHEMBL64430
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