Methophenazine
[CAS# 388-51-2]

Identification

• Name: Methophenazine
• Synonyms: But-2-Enedioic Acid; 3,4,5-Trimethoxybenzoic Acid 2-[4-[3-(2-Chloro-10-Phenothiazinyl)Propyl]-1-Piperazinyl]Ethyl Ester; But-2-Enedioic Acid; 3,4,5-Trimethoxybenzoic Acid 2-[4-[3-(2-Chlorophenothiazin-10-Yl)Propyl]Piperazin-1-Yl]Ethyl Ester; Benzoic Acid, 3,4,5-Trimethoxy-, 2-(4-(3-(2-Chlorophenothiazin-10-Yl)Propyl)-1-P
• Molecular Formula: C₃₉H₄₄ClN₃O₁₃S
• Molecular Weight: 830.30
• CAS Registry Number: 388-51-2
• SMILES: C1=C(Cl)C=CC2=C1N(C3=C(S2)C=CC=C3)CCCN4CCN(CC4)CCOC(=O)C5=CC(=C(OC)C(=C5)OC)OC.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C31H36ClN3O5S.2C4H4O4/c1-37-26-19-22(20-27(38-2)30(26)39-3)31(36)40-18-17-34-15-13-33(14-16-34)11-6-12-35-24-7-4-5-8-28(24)41-29-10-9-23(32)21-25(29)35;2*5-3(6)1-2-4(7)8/h4-5,7-10,19-21H,6,11-18H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: ZDTAJBBRWBBHSZ-LVEZLNDCSA-N

Properties

• Boiling point: 694.7°C at 760 mmHg (Cal.)
• Flash point: 374°C (Cal.)