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Desferrioxamine T1

CAT: 0804-HY-178849Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-178849Size:1 Each
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Description
Desferrioxamine T1 is an agent that binds iron and aluminium[1].
CAS Number
1807362-40-8
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
O=C(CCC(N(CCCCCNCC(CCC(N(CCCCCNC(CCC(N(CCCCCNC(CCC(N(CCCCCN)O)=O)=O)O)=O)=O)O)=O)=O)O)=O)O
Molecular Formula
C37H68N8O13
Molecular Weight
832.98
References & Citations
[1]Alexander Thiemann, et al. Composition comprising desferrioxamines and a mixture of triglycerides. WO2024115214A1. 2024-06-06
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-[5-[[5-[5-[[4-[5-[[4-[5-Aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-2,5-dioxopentyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid
CAS Number1807362-40-8
PubChem CID178421492
IUPAC Name4-[5-[[5-[5-[[4-[5-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-2,5-dioxopentyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid
Molecular FormulaC37H68N8O13
Molecular Weight833.0
XLogP-5.7
Topological Polar Surface Area313
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count37
Heavy Atom Count58
Formal Charge0
Complexity1240
SMILES
C(CCN)CCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)CNCCCCCN(C(=O)CCC(=O)O)O)O)O)O
InChI
InChI=1S/C37H68N8O13/c38-21-5-1-9-25-43(56)34(50)17-14-31(47)41-24-8-4-12-28-44(57)35(51)18-15-32(48)40-23-7-3-11-27-42(55)33(49)16-13-30(46)29-39-22-6-2-10-26-45(58)36(52)19-20-37(53)54/h39,55-58H,1-29,38H2,(H,40,48)(H,41,47)(H,53,54)
InChIKey
UPJDTJQTCAIYKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[5-[[5-[5-[[4-[5-[[4-[5-Aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-2,5-dioxopentyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid
CAS: 1807362-40-8
CID: 178421492
Formula: C37H68N8O13
MW: 833.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight833.0
XLogP3-5.7
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count37
Exact Mass832.49058425
Monoisotopic Mass832.49058425
Topological Polar Surface Area313 Ų
Heavy Atom Count58
Formal Charge0
Complexity1240
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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Alternative Products

CatalogName
GTR19280860-01Desferrioxamine T1
GTR19229510-01Desferrioxamine H
GTR19280694-01Desferrioxamine X3
GTR19227862-01Desferrioxamine X1
13494349-1gDesferrioxamine B mesylate
IA-0012Desferrioxamine (DFO) solution (1000x)
D3693-05Deferoxamine Mesylate (DFOM, Deferoxamine Methanesulfonate Salt, Desferrioxamine Mesylate Salt) discontinued. See 271301

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