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CHEBI:87634 - Evans blue free acid

Default Structure
ChEBI IDCHEBI:87634
ChEBI NameEvans blue free acid
Stars
DefinitionA naphthalenesulfonic acid that is the free acid form of the dye Evans blue. The tetrasodium salt is used as a counterstain, especially in fluorescent methods to suppress background autofluorescence.
Last Modified24 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC34H28N6O14S4
Net Charge0
Average Mass872.894
Monoisotopic Mass872.05463
SMILESCc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O
InChIInChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)
InChIKeyCOXVTLYNGOIATD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
sodium channel blocker  An agent that inhibits sodium influx through cell membranes.
teratogenic agent  A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
ChEBI Ontology
Outgoing Relation(s)
Evans blue free acid (CHEBI:87634) has role sodium channel blocker (CHEBI:38633)
Evans blue free acid (CHEBI:87634) has role teratogenic agent (CHEBI:50905)
Evans blue free acid (CHEBI:87634) is a aminonaphthalene (CHEBI:38034)
Evans blue free acid (CHEBI:87634) is a azobenzenes (CHEBI:22682)
Evans blue free acid (CHEBI:87634) is a biphenyls (CHEBI:22888)
Evans blue free acid (CHEBI:87634) is a bis(azo) compound (CHEBI:48960)
Evans blue free acid (CHEBI:87634) is a naphthalenesulfonic acid (CHEBI:36336)
Evans blue free acid (CHEBI:87634) is a naphthols (CHEBI:25392)
Evans blue free acid (CHEBI:87634) is a primary arylamine (CHEBI:50471)
Evans blue free acid (CHEBI:87634) is conjugate acid of Evans blue(4−) (CHEBI:87636)
Incoming Relation(s)
Evans blue(4−) (CHEBI:87636) is conjugate base of Evans blue free acid (CHEBI:87634)
IUPAC Name 
6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)
Synonyms  Source
Evans blue acidChEBI
Evans blue free acid formChEBI
NSC 8680ChEBI
Registry NumbersSources
Reaxys:1838846Reaxys
CAS:6968-33-8ChemIDplus