CEFSULODIN SODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII 2D087186PY

Structure

InChI Key REACMANCWHKJSM-DWBVFMGKSA-M
Smiles NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1.[Na+]
InChI
InChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/p-1/t15-,17-,21-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H19N4NaO8S2
Molecular Weight 554.54
AlogP -0.9
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 190.88
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

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
- - - - 91.84-101.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 91.84-101.2

Cross References

Resources Reference
ChEBI 31380
ChEMBL CHEMBL1590946
FDA SRS 2D087186PY
KEGG C13505
PubChem 656644
SureChEMBL SCHEMBL1648651
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