Molecule ID: 135436514

IUPAC Name: [7-(dimethylamino)-3,4-dioxo-10H-phenoxazine-1-carbonyl]azanium;chloride

Description: The molecule is 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. It has a role as a histological dye and a fluorochrome. It contains a Gallamin blue(1+).

SMILES: CN(C)c1ccc2[nH]c3c(C(=N)O)cc(=O)c(=O)c=3oc2c1.Cl

SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][NH1][C][C][Branch1][=Branch1][C][=Branch1][C][=N][O][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=Ring1][O][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1].[Cl]

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;/h3-6,17H,1-2H3,(H2,16,21);1H

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: nan