DEFEROXAMINE MESYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII V9TKO7EO6K
EPA CompTox DTXSID6037649
Parent Compound: DEFEROXAMINE

Structure

InChI Key IDDIJAWJANBQLJ-UHFFFAOYSA-N
Smiles CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O
InChI
InChI=1S/C25H48N6O8.CH4O3S/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;1-5(2,3)4/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H52N6O11S
Molecular Weight 656.8
AlogP 0.92
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 23.0
Polar Surface Area 205.84
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 39.0

Pharmacology

Mechanism of Action Action Reference
Iron chelating agent CHELATING AGENT DailyMed
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
- - - - 98.92-116.43
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 98.92-116.43

Cross References

Resources Reference
ChEBI 31460
ChEMBL CHEMBL1234
FDA SRS V9TKO7EO6K
KEGG C06940
PubChem 62881
SureChEMBL SCHEMBL119982
ZINC ZINC03830635
CONTENTS