Molecular Identity
Deferoxamine
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide
PubChem CID: 2973
Desferrioxamine B is an acyclic desferrioxamine that is butanedioic acid in which one of the carboxy groups undergoes formal condensation with the primary amino group of N-(5-aminopentyl)-N-hydroxyacetamide and the second carboxy group undergoes formal condensation with the hydroxyamino group of N1-(5-aminopentyl)-N1-hydroxy-N4-[5-(hydroxyamino)pentyl]butanediamide. It is a siderophore native to Streptomyces pilosus biosynthesised by the DesABCD enzyme cluster as a high affinity Fe(III) chelator. It has a role as a ferroptosis inhibitor, a siderophore, an iron chelator and a bacterial metabolite. It is a conjugate base of a desferrioxamine B(1+). It is a conjugate acid of a desferrioxamine B(3-).
2D Structure
Properties
C25H48N6O8
Molecular Formula
560.70
Molecular Weight
g/mol
560.3534
Exact Mass
Da
-2.1
XLogP
Drug-like (Lipinski: < 5)
206
TPSA
May have limited oral absorption
6
H-Bond Donors
9
H-Bond Acceptors
739
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)OIsomeric SMILES
SMILES: CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)OSynonyms(20)
deferoxamine70-51-9Desferrioxamine BDESFERRIOXAMINEDeferrioxamineDeferoxamine BDeferrioxamine BDeferoxaminDeferoxaminumDesferinDFOMDesferanDesferexDesferralDesferrin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Deferoxamine
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