4-[4-(8-Chloro-1-methyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-1-butanol (2E)-2-butenedioate (1:2)
[CAS# 86499-16-3]

Identification

• Name: 4-[4-(8-Chloro-1-methyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-1-butanol (2E)-2-butenedioate (1:2)
• Molecular Formula: C₃₁H₃₇ClN₂O₉S
• Molecular Weight: 649.15
• CAS Registry Number: 86499-16-3
• SMILES: O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O.Clc3ccc2Sc1c(c(ccc1)C)CC(c2c3)N4CCN(CCCCO)CC4
• InChI: 1S/C23H29ClN2OS.2C4H4O4/c1-17-5-4-6-22-19(17)16-21(20-15-18(24)7-8-23(20)28-22)26-12-10-25(11-13-26)9-2-3-14-27;2*5-3(6)1-2-4(7)8/h4-8,15,21,27H,2-3,9-14,16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: ZCFMSSQADJAUDD-LVEZLNDCSA-N

Properties

• Boiling point: 537.6°C at 760 mmHg (Cal.)
• Flash point: 278.9°C (Cal.)