CEFMETAZOLE SODIUM

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Trade Names:
Synonyms:
Status: Approved (1989)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 37Y9VR4W7A
Parent Compound: CEFMETAZOLE

Structure
InChI Key BITQGIOJQWZUPL-PBCQUBLHSA-M
Smile 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

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein 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
- - - - 109

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 3490
ChEMBL CHEMBL1201118
EPA CompTox DTXSID5045590
FDA SRS 37Y9VR4W7A
KEGG C08104
PubChem 23666711
SureChEMBL SCHEMBL193751
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