2-[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]ethyl hydroxy(phenyl)acetate (2E)-2-butenedioate (1:2)
[CAS# 86490-09-7]

Identification

• Name: 2-[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]ethyl hydroxy(phenyl)acetate (2E)-2-butenedioate (1:2)
• Synonyms: 2-Chloro-11-(4-(2-mandeloyloxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(maleate)
• Molecular Formula: C₃₆H₃₇ClN₂O₁₁S
• Molecular Weight: 741.20
• CAS Registry Number: 86490-09-7
• SMILES: O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O.O=C(OCCN4CCN(C2c3c(Sc1ccccc1C2)ccc(Cl)c3)CC4)C(O)c5ccccc5
• InChI: 1S/C28H29ClN2O3S.2C4H4O4/c29-22-10-11-26-23(19-22)24(18-21-8-4-5-9-25(21)35-26)31-14-12-30(13-15-31)16-17-34-28(33)27(32)20-6-2-1-3-7-20;2*5-3(6)1-2-4(7)8/h1-11,19,24,27,32H,12-18H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: LYGCRODFOSZYBQ-LVEZLNDCSA-N

Properties

• Boiling point: 640.1°C at 760 mmHg (Cal.)
• Flash point: 340.9°C (Cal.)