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Deferoxamine

CAT: 0926-FD46531-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FD46531-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70-51-9
MDL Number
MFCD00242585
Smiles
CC (=O) N (CCCCCNC (=O) CCC (=O) N (CCCCCNC (=O) CCC (=O) N (CCCCCN) O) O) O
Molecular Formula
C25H48N6O8
Molecular Weight
560.68 g/mol
Controlled
No

Chemical Information

Deferoxamine

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-).

CAS Number70-51-9
PubChem CID2973
IUPAC NameN-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide
Molecular FormulaC25H48N6O8
Molecular Weight560.7
XLogP-2.1
Topological Polar Surface Area206
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Heavy Atom Count39
Formal Charge0
Complexity739
SMILES
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O
InChI
InChI=1S/C25H48N6O8/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)
InChIKey
UBQYURCVBFRUQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Deferoxamine
CAS: 70-51-9
CID: 2973
Formula: C25H48N6O8
MW: 560.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.7
XLogP3-2.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Exact Mass560.35336251
Monoisotopic Mass560.35336251
Topological Polar Surface Area206 Ų
Heavy Atom Count39
Formal Charge0
Complexity739
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BUP24196-01Mal-Deferoxamine

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