Sesamodil fumarate
[CAS# 116476-14-3]

Identification

• Name: Sesamodil fumarate
• Synonyms: (2R)-2-[2-[3-[2-(1,3-Benzodioxol-5-Yloxy)Ethyl-Methyl-Amino]Propoxy]-5-Methoxy-Phenyl]-4-Methyl-1,4-Benzothiazin-3-One; But-2-Enedioic Acid; Sd-3211; 2H-1,4-Benzothiazin-3(4H)-One, 2-(2-(3-((2-(1,3-Benzodioxol-5-Yloxy)Ethyl)Methylamino)Propoxy)-5-Methoxyphenyl)-4-Methyl-, (R)-, (E)-2-Butenedioate (1:1)
• Molecular Formula: C₃₃H₃₆N₂O₁₀S
• Molecular Weight: 652.71
• CAS Registry Number: 116476-14-3
• SMILES: [C@@H]1(SC2=C(N(C1=O)C)C=CC=C2)C5=C(OCCCN(CCOC4=CC=C3OCOC3=C4)C)C=CC(=C5)OC.O=C(O)\C=C\C(=O)O
• InChI: 1S/C29H32N2O6S.C4H4O4/c1-30(14-16-34-21-10-12-25-26(18-21)37-19-36-25)13-6-15-35-24-11-9-20(33-3)17-22(24)28-29(32)31(2)23-7-4-5-8-27(23)38-28;5-3(6)1-2-4(7)8/h4-5,7-12,17-18,28H,6,13-16,19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t28-;/m1./s1
• InChIKey: DIEJEELGDWGUCV-CNTJLTAHSA-N

Properties

• Boiling point: 727.3°C at 760 mmHg (Cal.)
• Flash point: 393.7°C (Cal.)