AVIBACTAM SODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII C8SM6IRW7G

Structure

InChI Key RTCIKUMODPANKX-JBUOLDKXSA-M
Smiles NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N3NaO6S
Molecular Weight 287.23
AlogP -1.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 130.24
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Bacterial beta-lactamase TEM inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease unclassified
- 590 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli K-12
- 590 - - -
Pseudomonas aeruginosa PAO1
- 51 - 990 -

Cross References

Resources Reference
ChEBI 85982
ChEMBL CHEMBL2107817
FDA SRS C8SM6IRW7G
PubChem 24944097
SureChEMBL SCHEMBL14247700
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