Clothixamide maleate
[CAS# 4434-20-2]

Identification

• Name: Clothixamide maleate
• Synonyms: But-2-Enedioic Acid; 3-[4-[(3Z)-3-(2-Chlorothioxanthen-9-Ylidene)Propyl]Piperazin-1-Yl]-N-Methyl-Propanamide; But-2-Enedioic Acid; 3-[4-[(3Z)-3-(2-Chloro-9-Thioxanthenylidene)Propyl]-1-Piperazinyl]-N-Methylpropanamide; But-2-Enedioic Acid; 3-[4-[(3Z)-3-(2-Chlorothioxanthen-9-Ylidene)Propyl]Piperazin-1-Yl]-N-Methyl-Propionamide
• Molecular Formula: C₃₂H₃₆ClN₃O₉S
• Molecular Weight: 674.16
• CAS Registry Number: 4434-20-2
• SMILES: C1=C(Cl)C=CC4=C1\C(=C/CCN2CCN(CC2)CCC(=O)NC)C3=CC=CC=C3S4.O=C(O)\C=C/C(O)=O.O=C(O)\C=C/C(O)=O
• InChI: 1S/C24H28ClN3OS.2C4H4O4/c1-26-24(29)10-12-28-15-13-27(14-16-28)11-4-6-19-20-5-2-3-7-22(20)30-23-9-8-18(25)17-21(19)23;2*5-3(6)1-2-4(7)8/h2-3,5-9,17H,4,10-16H2,1H3,(H,26,29);2*1-2H,(H,5,6)(H,7,8)/b19-6-;2*2-1-
• InChIKey: PDAUESICMCKTDM-FXKYGGESSA-N

Properties

• Boiling point: 652.9°C at 760 mmHg (Cal.)
• Flash point: 348.7°C (Cal.)