2-Acetyl-10-[2-(dimethylammonio)propyl]-10H-phenothiazin-10-ium (2Z)-2-butenedioate
[CAS# 7455-18-7]

Identification

• Name: 2-Acetyl-10-[2-(dimethylammonio)propyl]-10H-phenothiazin-10-ium (2Z)-2-butenedioate
• Synonyms: 2-acetyl-10-[2-(dimethylammonio)propyl]-10H-phenothiazinium maleate
• Molecular Formula: C₂₃H₂₆N₂O₅S
• Molecular Weight: 442.53
• CAS Registry Number: 7455-18-7
• EINECS: 231-228-0
• SMILES: [O-]C(=O)/C=C\C([O-])=O.C[NH+](C)C(C)C[NH+]2c3ccccc3Sc1ccc(cc12)C(C)=O
• InChI: 1S/C19H22N2OS.C4H4O4/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21;5-3(6)1-2-4(7)8/h5-11,13H,12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
• InChIKey: BACHEZCVYSHWLT-BTJKTKAUSA-N

Properties

• Boiling point: 676.3°C at 760 mmHg (Cal.)
• Flash point: 362.8°C (Cal.)