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CHEBI:87376 - chromoxane cyanin R

Default Structure
ChEBI IDCHEBI:87376
ChEBI Namechromoxane cyanin R
Stars
DefinitionAn organic sodium salt that is the trisodium salt of 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid. It can be used for the detection of some metals in tissue.
Last Modified7 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC23H15O9S.3Na
Net Charge0
Average Mass536.401
Monoisotopic Mass536.01299
SMILESCC1=C/C(=C(/c2cc(C)c(O)c(C(=O)[O-])c2)c2ccccc2S(=O)(=O)[O-])C=C(C(=O)[O-])C1=O.[Na+].[Na+].[Na+]
InChIInChI=1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3/b19-14+;;;
InChIKeyFFUMCSDSJNSMQH-HEXQVDJKSA-K
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
ChEBI Ontology
Outgoing Relation(s)
chromoxane cyanin R (CHEBI:87376) has part chromoxane cyanin R(3−) (CHEBI:87387)
chromoxane cyanin R (CHEBI:87376) has role fluorochrome (CHEBI:51217)
chromoxane cyanin R (CHEBI:87376) has role histological dye (CHEBI:77178)
chromoxane cyanin R (CHEBI:87376) is a organic sodium salt (CHEBI:38700)
chromoxane cyanin R (CHEBI:87376) is a organosulfonate salt (CHEBI:64382)
IUPAC Name 
trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate
Synonyms  Source
alizarol cyanin RChEBI
Chrome Cyanine RChemIDplus
C.I. 43820ChEBI
C.I. Mordant Blue 3ChemIDplus
eriochrome cyanin RChEBI
mordant blue 3ChEBI
Registry NumbersSources
Reaxys:3873874Reaxys
CAS:3564-18-9ChemIDplus
Citations