CHEBI:78900 - trypan blue sulfonic acid

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ChEBI Name trypan blue sulfonic acid
ChEBI ID CHEBI:78900
Definition An aminonaphthalenesulfonic acid that is the free acid form of trypan blue dye.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C34H28N6O14S4
Net Charge 0
Average Mass 872.87800
Monoisotopic Mass 872.055
InChI InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)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)/b39-37+,40-38+
InChIKey ZBNARPCCDMHDDV-HVMBLDELSA-N
SMILES Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(C)c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): dye

View more via ChEBI Ontology
ChEBI Ontology
Outgoing trypan blue sulfonic acid (CHEBI:78900) has role dye (CHEBI:37958)
trypan blue sulfonic acid (CHEBI:78900) is a aminonaphthalenesulfonic acid (CHEBI:38210)
trypan blue sulfonic acid (CHEBI:78900) is a azobenzenes (CHEBI:22682)
trypan blue sulfonic acid (CHEBI:78900) is a naphthols (CHEBI:25392)
trypan blue sulfonic acid (CHEBI:78900) is conjugate acid of trypan blue(4−) (CHEBI:78899)
Incoming trypan blue(4−) (CHEBI:78899) is conjugate base of trypan blue sulfonic acid (CHEBI:78900)
IUPAC Name
3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid)
Synonyms Sources
trypan blue acid ChEBI
Trypan blue free acid ChemIDplus
Manual Xrefs Databases
4608 DrugCentral
Trypan_blue Wikipedia
View more database links
Registry Number Type Source
2538-83-2 CAS Registry Number ChemIDplus
Last Modified
22 February 2017