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Chemical structure of HBED dihydrochloride

GC76892

HBED dihydrochloride

Also known as 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]acetic acid;dihydrochloride

HBED dihydrochloride is an orally active and hexadentate phenolic aminocarboxylate iron chelator

ChemicalCAS35369-53-0MW461.34FormulaC20H26Cl2N2O6
CAS number
35369-53-0
Molecular weight
461.34
Formula
C20H26Cl2N2O6
Solubility
DMSO： 100 mg/mL (216·76 mM; Need ultrasonic)
InChIKey
RZDJUOOSLXHIIK-UHFFFAOYSA-N
Catalogue number
GC76892
Brand
GLPBIO
Computed properties PubChem CID 131637893 · TPSA 122 Ų · H-bond donors 6 · H-bond acceptors 8
TPSA
122 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
30

SMILES C1=CC=C(C(=C1)CN(CCN(CC2=CC=CC=C2O)CC(=O)O)CC(=O)O)O.Cl.Cl

Computed descriptors from PubChem (CID 131637893), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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