Basic information
- CAS
35998-29-9- Standard SMILES
O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O- InChIKey
GRUVVLWKPGIYEG-UHFFFAOYSA-N- Molecular formula
- C20H24N2O6
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.16343649
Names & identifiers
- Preferred name
- N,N'-Bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid
- IUPAC
- 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]acetic acid
- English name
- HBED
- Molecular formula
- C20H24N2O6
- Molecular weight
- 388.41
Names & synonyms
HBED35998-29-9CHEL IIN,N'-Bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid5B9PRC5C53DTXSID50189556GLYCINE, N,N'-1,2-ETHANEDIYLBIS(N-((2-HYDROXYPHENYL)METHYL)-CGP-53650N,N'-bis(2-hydroxybenzyl)ethylenediamine diacetic acidGlycine, N,N'-1,2-ethanediylbis[N-[(2-hydroxyphenyl)methyl]-RefChem:160934DTXCID10112047
Show more names
cheliiHBED, 10 mM in DMSOn,n’-ethylenebis(n-salicyl-glycinN,N'-Ethylenebis(N-salicylglycine)[Ethylenebis(2-hydroxybenzylimino)]diacetic acid2,2'-[Ethylenebis(2-hydroxybenzylimino)]diacetic acidn,n’-1,2-ethanediylbis(n-((2-hydroxyphenyl)methyl)-glycinN,N-BIS[2-HYDROXYBENZYL]ETHYLENEDIAMINE-N,N-DIACETIC ACIDn,n’-1,2-ethanediylbis(n-((2-hydroxyphenyl)methyl)glycine)
35369-53-02,2'-(ethane-1,2-diylbis((2-hydroxybenzyl)azanediyl))diacetic acidCHELII;CGP 536502-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]acetic acidN,N'-Bis(o-hydroxybenzyl)ethylenediamine-N,N'-diacetateN,N/'-Di(2-hydroxybenzyl)ethylenediamine-N,N/'-diacetic acid monohydrochloride hydrate2-[2-[carboxymethyl-[(2-Hydroxyphenyl)methyl]amino]ethyl-[(2-Hydroxyphenyl)methyl]amino]ethanoic AcidGlycine, N,N'-ethylenebis(N-salicyl-
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Boiling point
- 614.7 · 614.7±55.0 °C(Predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- pka
- 1.77 · 1.77±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 5 B9PRC5C53 · 5B9PRC5C53
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.
Applications
UsesHBED is an iron chelator and hydroxyl radical inhibitor.
Suppliers21 total
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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