Structure Database (LMSD)
Common Name
Ferroxamine
Systematic Name
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxo-butanoyl]-hydroxy-amino]pentyl]-N'-(5-aminopentyl)-N'-hydroxy-butanediamide;iron
Synonyms
- Desferal-iron(III)
- C07597
- Fe Sat DFO
- AC1LAQQR
LM ID
LMFA08020175
Formula
C25H48FeN6O8
Exact Mass
Calculate m/z
616.288303
Status
Curated
3D model of Ferroxamine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RLQJSUCFBHXPHA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=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 (Click to copy)
[Fe].ON(C(CCC(NCCCCCN(C(C)=O)O)=O)=O)CCCCCNC(CCC(N(CCCCCN)O)=O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
0
Aromatic Rings
0
Rotatable Bonds
23
Van der Waals Molecular Volume
564.18
Topological Polar Surface Area
205.84
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
11
logP
3.14
Molar Refractivity
143.80
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Created at
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Updated at
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