5-Bromo-ethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)
Basic information
- CAS
74304-83-9- Standard SMILES
O=C(O)C(NCCNC(C(=O)O)c1cc(Br)ccc1O)c1cc(Br)ccc1O- InChIKey
ZIXYCTFWCCSCBN-UHFFFAOYSA-N- Molecular formula
- C18H18Br2N2O6
- Average molar mass
- 518.2 g/mol
- Monoisotopic mass
- 515.95316
Overview
complexed with (67)Ga for radiopharmaceuticals; structure given in first source
Names & identifiers
- Preferred name
- 5-Bromo-ethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)
- IUPAC
- 2-(5-bromo-2-hydroxyphenyl)-2-[2-[[(5-bromo-2-hydroxyphenyl)-carboxymethyl]amino]ethylamino]acetic acid
- English name
- 5-bromo-ethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)
- Molecular weight
- 0
Names & synonyms
5-Bromo-eddha74304-83-95-Bromo-ethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)RefChem:1021912-(5-bromo-2-hydroxyphenyl)-2-[2-[[(5-bromo-2-hydroxyphenyl)-carboxymethyl]amino]ethylamino]acetic acidDTXSID809958242,2'-(Ethane-1,2-diyldiazanediyl)bis[(5-bromo-2-hydroxyphenyl)acetic acid]2,2'-[Ethane-1,2-diylbis(azanediyl)]bis[(5-bromo-2-hydroxyphenyl)acetic acid]Benzeneacetic acid, alpha,alpha'-(1,2-ethanediyldimino)bis(5-bromo-2-hydroxy-
Database identifiers
- CAS
74304-83-9- PubChem CID
- 450286
- DTXSID
DTXSID80995824
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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