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ChEBI
> Main
CHEBI:87477 - methyl blue free acid
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ChEBI Name
methyl blue free acid
ChEBI ID
CHEBI:87477
Definition
An arenesulfonic acid, the disodium salt of which is the histological dye 'methyl blue' (used for staining collagen in Masson's trichrome and Mallory's method for connective tissue).
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C37H29N3O9S3
Net Charge
0
Average Mass
755.83600
Monoisotopic Mass
755.10659
InChI
InChI=1S/C37H29N3O9S3/c41-
50(42,43)
34-
19-
13-
31(14-
20-
34)
38-
28-
7-
1-
25(2-
8-
28)
37(26-
3-
9-
29(10-
4-
26)
39-
32-
15-
21-
35(22-
16-
32)
51(44,45)
46)
27-
5-
11-
30(12-
6-
27)
40-
33-
17-
23-
36(24-
18-
33)
52(47,48)
49/h1-
24,38-
39H,(H,41,42,43)
(H,44,45,46)
(H,47,48,49)
InChIKey
RFKJHQXSLBUONF-UHFFFAOYSA-N
SMILES
OS(=O)(=O)c1ccc(Nc2ccc(cc2)C(=C2C=CC(C=C2)=Nc2ccc(cc2)S(O)(=O)=O)c2ccc(Nc3ccc(cc3)S(O)(=O)=O)cc2)cc1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
methyl blue free acid (
CHEBI:87477
)
is a
arenesulfonic acid (
CHEBI:33555
)
methyl blue free acid (
CHEBI:87477
)
is a
aromatic amine (
CHEBI:33860
)
methyl blue free acid (
CHEBI:87477
)
is a
imine (
CHEBI:24783
)
methyl blue free acid (
CHEBI:87477
)
is a
secondary amino compound (
CHEBI:50995
)
methyl blue free acid (
CHEBI:87477
)
is conjugate acid of
methyl blue(2−) (
CHEBI:87478
)
Incoming
methyl blue(2−) (
CHEBI:87478
)
is conjugate base of
methyl blue free acid (
CHEBI:87477
)
IUPAC Name
4,4'-
{({4-
[(4-
sulfophenyl)imino]cyclohexa-
2,5-
dien-
1-
ylidene}methylene)bis[(4,1-
phenylene)azanediyl]}di(benzene-
1-
sulfonic acid)
Synonym
Source
Aniline blue
ChemIDplus
Registry Numbers
Types
Sources
27536483
Reaxys Registry Number
Reaxys
61489-48-3
CAS Registry Number
ChemIDplus
Last Modified
14 August 2015