vinorelbine
vinflunine
Conditions | Yield |
---|---|
With tetrachloromethane; hydrogen fluoride; antimony pentafluoride at -40℃; | 35% |
vinflunine
C45H53F2IN4O8
Conditions | Yield |
---|---|
With N-iodo-succinimide; trifluoroacetic acid In dichloromethane at -15℃; for 1h; | 94% |
Conditions | Yield |
---|---|
In ethyl acetate; acetone |
Conditions | Yield |
---|---|
In ethyl acetate |
Conditions | Yield |
---|---|
In methanol; acetone |
Conditions | Yield |
---|---|
In acetone |
Conditions | Yield |
---|---|
In acetone |
Conditions | Yield |
---|---|
In acetone |
vinflunine
Conditions | Yield |
---|---|
With hydrogen bromide In water; acetone |
vinflunine
vinflunine sulfate
Conditions | Yield |
---|---|
With sulfuric acid In ethanol; water; acetone |
Conditions | Yield |
---|---|
With hexamethylenetetramine at 75℃; for 1h; |
vinflunine
desacetylvinflunine hydrazide
Conditions | Yield |
---|---|
With hydrazine In methanol at 60℃; |
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
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