Aspidospermidine-3-carboxylicacid,4-(acetyloxy)-6,7-didehydro-15-[(2R,4R,6S,8S)-4-(1,1-difluoroethyl)-1,3,4,5,6,7,8,9-octahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-,methyl ester, (2b,3b,4b,5a,12R,19a)-

The IUPAC name of Vinflunine is methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(acetyloxy)-15-[(4R,6R,8S)-4-(1,1-difluoroethyl)-8-(methoxycarbonyl)-1,3,4,5,6,7,8,9-octahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-meth oxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate. With the CAS registry number 162652-95-1, it is also named as 4'-Deoxy-20',20'-difluoro-8'-norvincaleukoblastine. The product's category is Miscellaneous Natural Products. It is a novel fluorinated Vinca alkaloid undergoing research for the treatment of bladder cancer. In addition, its molecular formula is C₄₅H₅₄F₂N₄O₈ and molecular weight is 816.93.

The other characteristics of Vinflunine can be summarized as: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 12; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 11; (6)XLogP3: 4.4; (7)Rotatable Bond Count: 10; (8)Exact Mass: 816.390971; (9)MonoIsotopic Mass: 816.390971; (10)Topological Polar Surface Area: 134; (11)Heavy Atom Count: 59; (12)Complexity: 1720; (13)Polar Surface Area: 112.01 Å²; (14)Index of Refraction: 1.652; (15)Molar Refractivity: 214.79 cm³; (16)Molar Volume: 587 cm³; (17)Polarizability: 85.14×10^-24cm³; (18)Surface Tension: 65.7 dyne/cm; (19)Density: 1.39 g/cm³.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(C)[C@@H]9C[C@H]8CN(Cc2c1ccccc1nc2[C@@](C(=O)OC)(c3c(OC)cc4c(c3)[C@@]67[C@@H](N4C)[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@@]5(/C=C\CN([C@@H]56)CC7)CC)C8)C9
(2)InChI: InChI=1/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3/t26-,27-,36+,37-,38-,42-,43-,44+,45+/m1/s1
(3)InChIKey: NMDYYWFGPIMTKO-HBVLKOHWBK