Structure database (LMSD)

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LM IDLMFA08020175
Common NameFerroxamine
Systematic NameN-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxo-butanoyl]-hydroxy-
amino]pentyl]-N'-(5-aminopentyl)-N'-hydroxy-butanediamide;iron
SynonymsDesferal-iron(III); C07597; Fe Sat DFO; AC1LAQQR
Exact Mass
616.2883 (neutral)    Calculate m/z:
FormulaC25H48FeN6O8
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl amines [FA0802]
PubChem CID473260
KEGG IDC07597
InChIKeyRLQJSUCFBHXPHA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H48N6O8.Fe/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;/h37-39H,2-20,26H2,1H3,(H,27
,33)(H,28,34);
SMILES[Fe].ON(C(CCC(NCCCCCN(C(C)=O)O)=O)=O)CCCCCNC(CCC(N(CCCCCN)O)=O)=O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms39Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
564.18Topological Polar
Surface Area
205.84Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
11
 logP3.14Molar
Refractivity
143.80