Ketcher 08251517002D 1   1.00000     0.00000     0

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 12 25  1  0     0  0
 16 26  1  0     0  0
M  END
> <ID>
CHEBI:53615

> <NAME>
Bismark brown Y

> <DEFINITION>
A hydrochloride that is the dihydrochloride of 4,4'-[1,3-phenylenebis(diazene-2,1-diyl)]di(benzene-1,3-diamine). Bismarck brown Y is a metachromatic dye which stains acid mucins yellow. It is also a constituent of Papanicolaou's EA solutions, used for cervical, and other smears.

> <STAR>
3

> <SYNONYM>
Phenylene brown; Manchester brown; C.I. Basic Brown 1, dihydrochloride; C.I. 21000; Bismarck brown Y; Bismarck brown; Basic brown 1

> <IUPAC_NAME>
4,4'-[1,3-phenylenebis(diazene-2,1-diyl)]di(benzene-1,3-diamine) dihydrochloride

> <FORMULA>
C18H20Cl2N8

> <MASS>
419.31100

> <MONOISOTOPIC_MASS>
418.11880

> <CHARGE>
0

> <SMILES>
Cl.Cl.Nc1ccc(N=Nc2cccc(c2)N=Nc2ccc(N)cc2N)c(N)c1

> <INCHI>
InChI=1S/C18H18N8.2ClH/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;;/h1-10H,19-22H2;2*1H

> <INCHIKEY>
MCZVRBLCRZWFJH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
10114-58-6

> <REAXYS_REGISTRY_NUMBER>
8372091

> <CHEMIDPLUS>
10114-58-6

> <WIKIPEDIA_ACCESSION>
Bismarck_brown_Y

> <PUBMED_CITATION>
16095814; 16455100; 18844695; 20292688; 24271729; 6171060; 9138538; 9187732

$$$$