PIPERACILLIN SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII M98T69Q7HP
Parent Compound: PIPERACILLIN

Structure

InChI Key WCMIIGXFCMNQDS-IDYPWDAWSA-M
Smiles CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])c2ccccc2)C(=O)C1=O.[Na+]
InChI
InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H26N5NaO7S
Molecular Weight 539.55
AlogP -0.24
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 156.43
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 36.0

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
- - - - 60.13-93.11
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 60.13-93.11

Cross References

Resources Reference
ChEBI 8233
ChEMBL CHEMBL1200820
FDA SRS M98T69Q7HP
KEGG C07361
PubChem 23666879
SureChEMBL SCHEMBL34180
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