CEFOXITIN SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII Q68050H03T
EPA CompTox DTXSID8048995
Parent Compound: CEFOXITIN

Structure

InChI Key GNWUOVJNSFPWDD-XMZRARIVSA-M
Smiles CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21.[Na+]
InChI
InChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16N3NaO7S2
Molecular Weight 449.44
AlogP 0.1
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 148.26
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor 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
- - - - 68.58-82.79
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 68.58-82.79

Cross References

Resources Reference
ChEBI 3501
ChEMBL CHEMBL1200530
FDA SRS Q68050H03T
KEGG C08106
PubChem 23667300
SureChEMBL SCHEMBL41178
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