CEFMETAZOLE SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 37Y9VR4W7A
EPA CompTox DTXSID5045590
Parent Compound: CEFMETAZOLE

Structure

InChI Key BITQGIOJQWZUPL-PBCQUBLHSA-M
Smiles CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+]
InChI
InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H16N7NaO5S3
Molecular Weight 493.53
AlogP -0.73
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 163.33
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR 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
- - - - 108.59-123.33
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 108.59-123.33

Cross References

Resources Reference
ChEBI 3490
ChEMBL CHEMBL1201118
FDA SRS 37Y9VR4W7A
KEGG C08104
PubChem 23666711
SureChEMBL SCHEMBL193751
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