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HBED (dihydrochloride)

CAT: 0804-HY-W035520-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W035520-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HBED dihydrochloride is an orally active and hexadentate phenolic aminocarboxylate iron chelator. HBED refers to N, N'-bis (2-hydroxybenzyl) ethylenediamine-N, N'-diacetic acid, inducing iron excretion in primates. HBED dihydrochloride has the potential to be used as an alternative to desferriamine for iron chelation therapy[1].
CAS Number
35369-53-0
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hbed-dihydrochloride.html
Purity
99.99
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC1=C(C=CC=C1)CN(CCN(CC2=C(C=CC=C2)O)CC(O)=O)CC(O)=O.Cl.Cl
Molecular Formula
C20H26Cl2N2O6
Molecular Weight
461.34
Precautions
H302, H315, H319, H335
References & Citations
[1]Bergeron RJ, et al. HBED: the continuing development of a potential alternative to deferoxamine for iron-chelating therapy. Blood. 1999 Jan 1;93 (1) :370-5.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

2,2'-(Ethane-1,2-diylbis((2-hydroxybenzyl)azanediyl))diacetic acid dihydrochloride
CAS Number35369-53-0
PubChem CID131637893
IUPAC Name2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]acetic acid;dihydrochloride
Molecular FormulaC20H26Cl2N2O6
Molecular Weight461.3
Topological Polar Surface Area122
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity459
SMILES
C1=CC=C(C(=C1)CN(CCN(CC2=CC=CC=C2O)CC(=O)O)CC(=O)O)O.Cl.Cl
InChI
InChI=1S/C20H24N2O6.2ClH/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24;;/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28);2*1H
InChIKey
RZDJUOOSLXHIIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-(Ethane-1,2-diylbis((2-hydroxybenzyl)azanediyl))diacetic acid dihydrochloride
CAS: 35369-53-0
CID: 131637893
Formula: C20H26Cl2N2O6
MW: 461.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass460.1167919
Monoisotopic Mass460.1167919
Topological Polar Surface Area122 Ų
Heavy Atom Count30
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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