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CHEBI:60889 - 5,5'-dimethyl-BAPTA

ChEBI IDCHEBI:60889
ChEBI Name5,5'-dimethyl-BAPTA
Stars
DefinitionA polyamino carboxylic acid, the structure of which is that of BAPTA carrying methyl substituents at C-5 and C-5'.
Last Modified5 January 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H28N2O10
Net Charge0
Average Mass504.492
Monoisotopic Mass504.17440
SMILESCc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(C)ccc2N(CC(=O)O)CC(=O)O)c1
InChIInChI=1S/C24H28N2O10/c1-15-3-5-17(25(11-21(27)28)12-22(29)30)19(9-15)35-7-8-36-20-10-16(2)4-6-18(20)26(13-23(31)32)14-24(33)34/h3-6,9-10H,7-8,11-14H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)
InChIKeyBOMWLYNXTGNSSE-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5,5'-dimethyl-BAPTA (CHEBI:60889) has functional parent BAPTA (CHEBI:60888)
5,5'-dimethyl-BAPTA (CHEBI:60889) has role chelator (CHEBI:38161)
5,5'-dimethyl-BAPTA (CHEBI:60889) is a polyamino carboxylic acid (CHEBI:60892)
IUPAC Name 
2,2',2'',2'''-{ethane-1,2-diylbis[oxy(4-methyl-2,1-phenylene)nitrilo]}tetraacetic acid
Synonyms  Source
5,5'-Dimethyl-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetateChemIDplus
Bis(2-amino-5-methylphenoxy)ethane-N,N,N',N'-tetraacetateChemIDplus
N,N'-(1,2-ethanediylbis(oxy(4-methyl-2,1-phenylene)))bis(N-(carboxymethyl))glycineChemIDplus
(CH3)2-BaptaChemIDplus
5,5'-Dimethyl-baptaChemIDplus
Dimethyl bis-(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acidChemIDplus
Registry NumbersSources
CAS:91416-19-2ChemIDplus