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5,5'-dibromo-BAPTA

Go to external page http://purl.obolibrary.org/obo/CHEBI_60890

A polyamino carboxylic acid, the structure of which is that of BAPTA carrying bromine substituents at C-5 and C-5'.

Term info

Label

5,5'-dibromo-BAPTA

Synonyms
  • 2,2',2'',2'''-{ethane-1,2-diylbis[oxy(4-bromo-2,1-phenylene)nitrilo]}tetraacetic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2,2',2'',2'''-{ethane-1,2-diylbis[oxy(4-bromo-2,1-phenylene)nitrilo]}tetraacetic acid [ IUPAC ]

charge

0

formula

C22H22Br2N2O10

has obo namespace

chebi_ontology

has related synonym

(1,2-Bis(2-bis)(carboxymethyl)amino-5-bromophenoxy)ethane, 1,2-Bis(2-bis(2-amino-5-bromophenoxy)ethane)-N,N,N',N'-tetraacetic acid, N,N'-(1,2-ethanediylbis(oxy(4-bromo-2,1-phenylene)))bis(N-(carboxymethyl))glycine, Dibromo-bapta, 5,5'-Dibromo-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid, Br2-BAPTA

id

CHEBI:60890

inchi

InChI=1S/C22H22Br2N2O10/c23-13-1-3-15(25(9-19(27)28)10-20(29)30)17(7-13)35-5-6-36-18-8-14(24)2-4-16(18)26(11-21(31)32)12-22(33)34/h1-4,7-8H,5-6,9-12H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)

inchikey

KCTRRYZOCJDOTC-UHFFFAOYSA-N

mass

634.22500

monoisotopicmass

631.96412

smiles

OC(=O)CN(CC(O)=O)c1ccc(Br)cc1OCCOc1cc(Br)ccc1N(CC(O)=O)CC(O)=O