Dispegatrine
[CAS# 102488-56-2]

Identification

• Name: Dispegatrine
• Molecular Formula: C₄₀H₄₈N₄O₄
• Molecular Weight: 648.84
• CAS Registry Number: 102488-56-2
• SMILES: C1=CC(=C(C2=C1[NH]C3=C2CC4[N+]5(C3CC(C4CO)C(/C5)=C\C)C)C6=C(O)C=CC7=C6C%10=C([NH]7)C8[N+]9(C(C(C(C8)C(/C9)=C\C)CO)C%10)C)O
• InChI: 1S/C40H46N4O4/c1-5-19-15-43(3)29-13-23-35-27(41-39(23)31(43)11-21(19)25(29)17-45)7-9-33(47)37(35)38-34(48)10-8-28-36(38)24-14-30-26(18-46)22-12-32(40(24)42-28)44(30,4)16-20(22)6-2/h5-10,21-22,25-26,29-32,41-42,45-46H,11-18H2,1-4H3/p+2/b19-5-,20-6-
• InChIKey: ZYQNRMXWHKJVLH-FDWQPRGYSA-P