CEFOPERAZONE SODIUM

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 5FQG9774WD
EPA CompTox DTXSID6045874

Structure

InChI Key NCFTXMQPRQZFMZ-WERGMSTESA-M
Smiles CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O.[Na+]
InChI
InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H26N9NaO8S2
Molecular Weight 667.66
AlogP -1.11
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 220.26
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 44.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 10.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Trypanosoma cruzi
- - - - 10.1

Cross References

Resources Reference
ChEBI 3494
ChEMBL CHEMBL1200482
FDA SRS 5FQG9774WD
KEGG C08112
PubChem 23663974
SureChEMBL SCHEMBL537680
CONTENTS