KTY

desferrioxamine B

Created:2019-01-14
Last modified:  2022-12-07

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Chemical Details

Formal Charge0
Atom Count87
Chiral Atom Count0
Bond Count86
Aromatic Bond Count0
2D diagram of KTY

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Chemical Component Summary

Namedesferrioxamine B
SynonymsN~4~-{5-[acetyl(hydroxy)amino]pentyl}-N~1~-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N~1~-hydroxybutanediamide
Systematic Name (OpenEye OEToolkits)~{N}'-(5-azanylpentyl)-~{N}-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]-~{N}'-oxidanyl-butanediamide
FormulaC25 H48 N6 O8
Molecular Weight560.684
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(CCCNC(CCC(N(CCCCCNC(CCC(=O)N(O)CCCCCN)=O)O)=O)=O)CN(O)C(C)=O
SMILESCACTVS3.385CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
SMILESOpenEye OEToolkits2.0.6CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O
Canonical SMILESCACTVS3.385 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
Canonical SMILESOpenEye OEToolkits2.0.6 CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O
InChIInChI1.03 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)
InChIKeyInChI1.03 UBQYURCVBFRUQT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB00746 
NameDeferoxamine
Groups
  • investigational
  • approved
DescriptionNatural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form.
Synonyms
  • DFO
  • Deferrioxamine B
  • Deferoxaminum
  • Déferoxamine
  • Desferrioxamine
Brand Names
  • Desferal
  • Deferoxamine
  • Desferal 2g
  • Desferal 500mg
  • Deferoxamine mesylate
IndicationUsed to treat acute iron or aluminum toxicity (an excess of aluminum in the body) in certain patients. Also used in certain patients with anemia who must receive many blood transfusions.
Categories
  • Amines
  • Chelating Agents
  • Compounds used in a research, industrial, or household setting
  • Heavy Metal Antagonists
  • Hydroxamic Acids
ATC-CodeV03AC01
CAS number70-51-9

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Iron-unknownchelator
Aluminum-unknownchelator
Amyloid-beta precursor proteinMLPGLALLLLAAWTARALEVPTDGNAGLLAEPQIAMFCGRLNMHMNVQNG...unknown
Xanthine dehydrogenase/oxidaseMTADKLVFFVNGRKVVEKNADPETTLLAYLRRKLGLSGTKLGCGEGGCGA...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 2973
ChEMBL CHEMBL556
ChEBI CHEBI:4356