1-(10,11-Dihydro-7,8-Dimethoxydibenzo(b,f)Thiepin-10-Yl)-4-Methylpiperazine Maleate Hydrate
[CAS# 80709-64-4]

Identification

• Name: 1-(10,11-Dihydro-7,8-Dimethoxydibenzo(b,f)Thiepin-10-Yl)-4-Methylpiperazine Maleate Hydrate
• Synonyms: But-2-Enedioic Acid; 1-(8,9-Dimethoxy-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-4-Methyl-Piperazine; 1-(10,11-Dihydro-7,8-Dimethoxydibenzo(B,F)Thiepin-10-Yl)-4-Methylpiperazine Maleate Hydrate; 3,7-Dimethoxy-10-(4-Methylpiperazino)-10,11-Dihydrodibenzo(B,F)Thiepin Maleate Monohydrate
• Molecular Formula: C₂₅H₃₀N₂O₆S
• Molecular Weight: 486.58
• CAS Registry Number: 80709-64-4
• SMILES: C4=C3C(N1CCN(CC1)C)CC2=CC=CC=C2SC3=CC(=C4OC)OC.O=C(O)\C=C\C(=O)O
• InChI: 1S/C21H26N2O2S.C4H4O4/c1-22-8-10-23(11-9-22)17-12-15-6-4-5-7-20(15)26-21-14-19(25-3)18(24-2)13-16(17)21;5-3(6)1-2-4(7)8/h4-7,13-14,17H,8-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: NRCWWPPJMPEMSU-WLHGVMLRSA-N

Properties

• Boiling point: 472.8°C at 760 mmHg (Cal.)
• Flash point: 239.7°C (Cal.)