CARBENICILLIN DISODIUM

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 9TS4B3H261
EPA CompTox DTXSID6045820

Structure

InChI Key RTYJTGSCYUUYAL-YCAHSCEMSA-L
Smiles CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C17H18N2O6S.2Na/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);;/q;2*+1/p-2/t9?,10-,11+,14-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H16N2Na2O6S
Molecular Weight 422.37
AlogP 0.49
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 124.01
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 26.0

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
- - - - 100.66-108.51
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 100.66-108.51

Cross References

Resources Reference
ChEBI 34609
ChEMBL CHEMBL606260
FDA SRS 9TS4B3H261
KEGG C13967
PubChem 20933
SureChEMBL SCHEMBL54797
ZINC ZINC03978033
CONTENTS