4-(10,11-Dihydro-3-Fluoro-8-Iododibenzo(b,f)Thiepin-10-Yl)-1-Piperazineethanol (Z)-2-Butenedioate (1:2)
[CAS# 80760-86-7]

Identification

• Name: 4-(10,11-Dihydro-3-Fluoro-8-Iododibenzo(b,f)Thiepin-10-Yl)-1-Piperazineethanol (Z)-2-Butenedioate (1:2)
• Synonyms: But-2-Enedioic Acid; 2-[4-(2-Fluoro-8-Iodo-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-1-Piperazinyl]Ethanol; 4-(10,11-Dihydro-3-Fluoro-8-Iododibenzo(B,F)Thiepin-10-Yl)-1-Piperazineethanol Maleate (1:2); 1-Piperazineethanol, 4-(10,11-Dihydro-3-Fluoro-8-Iododibenzo(B,F)Thiepin-10-Yl)-, (Z)-2-Butenedioate (1:2)
• Molecular Formula: C₂₈H₃₀FIN₂O₉S
• Molecular Weight: 716.52
• CAS Registry Number: 80760-86-7
• SMILES: C4=C3C(N1CCN(CC1)CCO)CC2=CC=C(F)C=C2SC3=CC=C4I.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C20H22FIN2OS.2C4H4O4/c21-15-2-1-14-11-18(24-7-5-23(6-8-24)9-10-25)17-13-16(22)3-4-19(17)26-20(14)12-15;2*5-3(6)1-2-4(7)8/h1-4,12-13,18,25H,5-11H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: LBPRAHURQRRTNO-LVEZLNDCSA-N

Properties

• Boiling point: 522.6°C at 760 mmHg (Cal.)
• Flash point: 269.9°C (Cal.)