CHEBI:78900 - trypan blue sulfonic acid

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ChEBI Name trypan blue sulfonic acid
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 872.05463
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+
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)
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
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Registry Number Type Source
2538-83-2 CAS Registry Number ChemIDplus
Last Modified
22 February 2017