Ketcher 10201517092D 1   1.00000     0.00000     0

 23 24  0     0  0            999 V2000
    9.4886   -7.2266    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4806  -10.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6146  -10.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7485  -10.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7485   -9.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6146   -8.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4806   -9.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3466   -8.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2127   -9.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2127  -10.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3466  -10.5764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786  -10.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786   -8.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9447   -9.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9447  -10.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8824   -8.5765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0164   -9.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8824   -7.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0785  -11.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9446  -12.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125  -12.0764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786   -7.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8107   -8.5763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  2  7  1  0     0  0
  2 11  2  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
 10 11  1  0     0  0
 12 10  1  0     0  0
  9 10  2  0     0  0
  9 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 12 15  2  0     0  0
  5 16  1  0     0  0
 16 17  1  0     0  0
 16 18  1  0     0  0
 20 19  2  0     0  0
 21 19  1  0     0  0
 12 19  1  0     0  0
 13 22  1  0     0  0
 14 23  1  0     0  0
M  CHG  2   1  -1   8   1
M  END
> <ID>
CHEBI:88296

> <NAME>
Gallamin blue

> <DEFINITION>
An organic chloride salt composed of 1-carbamoyl-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium and chloride ions in a 1:1 ratio. A histological dye used in solution with an iron alum mordant as a hematoxylin substitute in the H&E stain.

> <STAR>
3

> <SYNONYM>
mordant blue 45; C.I. Mordant Blue 45; C.I. 51045

> <IUPAC_NAME>
1-carbamoyl-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride

> <FORMULA>
C15H14ClN3O4

> <MASS>
335.743

> <MONOISOTOPIC_MASS>
335.06728

> <CHARGE>
0

> <SMILES>
[Cl-].C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(C)C

> <INCHI>
InChI=1S/C15H13N3O4.ClH/c1-18(2)7-3-4-9-11(5-7)22-14-12(17-9)8(15(16)21)6-10(19)13(14)20;/h3-6H,1-2H3,(H3-,16,17,19,20,21);1H

> <INCHIKEY>
BPLLBVJAUUWCOC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1563-02-6

> <REAXYS_REGISTRY_NUMBER>
3825220

> <CHEMIDPLUS>
1563-02-6

> <PUBMED_CITATION>
13442826

$$$$