4-(6,11-Dihydro-11-Phenyldibenzo[b,e]Thiepin-3-Yl )-1-Piperazineethanol (Z)-2-Butenedioate Hydrate (2:4:5)
[CAS# 84964-52-3]

Identification

• Name: 4-(6,11-Dihydro-11-Phenyldibenzo[b,e]Thiepin-3-Yl )-1-Piperazineethanol (Z)-2-Butenedioate Hydrate (2:4:5)
• Synonyms: But-2-Enedioic Acid; 2-[4-(11-Phenyl-6,11-Dihydrobenzo[C][2]Benzothiepin-3-Yl)-1-Piperazinyl]Ethanol; 1-Piperazineethanol, 4-(6,11-Dihydro-11-Phenyldibenzo(B,E)Thiepin-3-Yl)-, (Z)-2-Butenedioate, Hydrate (2:4:5); 3-(4-(2-Hydroxyethyl)Piperazino)-11-Phenyl-6,11-Dihydrodibenzo(B,E)Thiepin Bismaleate Hydrate
• Molecular Formula: C₃₄H₃₆N₂O₉S
• Molecular Weight: 648.73
• CAS Registry Number: 84964-52-3
• SMILES: C3=C2C(C1=CC=CC=C1CSC2=CC(=C3)N4CCN(CC4)CCO)C5=CC=CC=C5.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C26H28N2OS.2C4H4O4/c29-17-16-27-12-14-28(15-13-27)22-10-11-24-25(18-22)30-19-21-8-4-5-9-23(21)26(24)20-6-2-1-3-7-20;2*5-3(6)1-2-4(7)8/h1-11,18,26,29H,12-17,19H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: UTAHEJRKWXIDHV-LVEZLNDCSA-N

Properties

• Boiling point: 592.8°C at 760 mmHg (Cal.)
• Flash point: 312.3°C (Cal.)