Molecule ID: 135403650

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

Description: The molecule is an organic chloride salt composed of 1-carbamoyl-7-(diethylamino)-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 fluorochrome and a histological dye. It contains a Celestin blue B(1+).

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

SELFIES: [C][C][N][Branch1][Ring1][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/C17H17N3O4.ClH/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22;/h5-8,19H,3-4H2,1-2H3,(H2,18,23);1H

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