CHEBI:85681 - water blue

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ChEBI Name water blue
ChEBI ID CHEBI:85681
Definition An organic sodium salt resulting from the formal condensation of NSC 56820 with 2 mol eq. of sodium hydroxide. It is used as a histological stain for collagen and in Mallory's method for connective tissue.
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Formula C32H25N3Na2O9S3
Net Charge 0
Average Mass 737.73000
Monoisotopic Mass 737.055
InChI InChI=1S/C32H27N3O9S3.2Na/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41;;/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b31-22-,35-25+;;
InChIKey XOSXWYQMOYSSKB-LDKJGXKFSA-L
SMILES [Na+].[Na+].Cc1cc(cc(c1N)S([O-])(=O)=O)C(=C1C=CC(C=C1)=[NH+]c1ccc(cc1)S([O-])(=O)=O)c1ccc(Nc2ccc(cc2)S([O-])(=O)=O)cc1
Roles Classification
Application(s): 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.
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ChEBI Ontology
Outgoing water blue (CHEBI:85681) has part NSC 56820(2−) (CHEBI:86250)
water blue (CHEBI:85681) has role histological dye (CHEBI:77178)
water blue (CHEBI:85681) is a organic sodium salt (CHEBI:38700)
Incoming aniline blue WS (CHEBI:87471) has part water blue (CHEBI:85681)
IUPAC Name
disodium 2-amino-3-methyl-5-({4-[(4-sulfonatophenyl)amino]phenyl}{4-[(4-sulfonatophenyl)iminio]cyclohexa-2,5-dien-1-ylidene}methyl)benzenesulfonate
Synonyms Sources
Acid Blue 22 ChemIDplus
Aniline Blue ChemIDplus
C.I. 42755 ChemIDplus
C.I. Acid Blue 22 ChemIDplus
Cotton blue ChemIDplus
Marine Blue V ChemIDplus
Soluble Blue 3M ChemIDplus
Manual Xref Database
Water_blue Wikipedia
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Registry Numbers Types Sources
28631-66-5 CAS Registry Number ChemIDplus
9249268 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25287199 PubMed citation Europe PMC
25596959 PubMed citation Europe PMC
25742620 PubMed citation Europe PMC
25806092 PubMed citation Europe PMC
Last Modified
13 August 2015