Product Name

  • Name

    Vinflunine

  • EINECS 1806241-263-5
  • CAS No. 162652-95-1
  • Article Data1
  • CAS DataBase
  • Density 1.39 g/cm3
  • Solubility
  • Melting Point
  • Formula C45H54F2N4O8
  • Boiling Point
  • Molecular Weight 816.943
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 162652-95-1 (Vinflunine)
  • Hazard Symbols
  • Synonyms 4'-Deoxy-20',20'-difluoro-C'-norvincaleukoblastine;
  • PSA 133.87000
  • LogP 5.01950

Synthetic route

vinorelbine
71486-22-1

vinorelbine

vinflunine
162652-95-1

vinflunine

Conditions
ConditionsYield
With tetrachloromethane; hydrogen fluoride; antimony pentafluoride at -40℃;35%
vinflunine
162652-95-1

vinflunine

C45H53F2IN4O8
1007315-28-7

C45H53F2IN4O8

Conditions
ConditionsYield
With N-iodo-succinimide; trifluoroacetic acid In dichloromethane at -15℃; for 1h;94%
toluene-4-sulfonic acid
104-15-4

toluene-4-sulfonic acid

vinflunine
162652-95-1

vinflunine

vinflunine para-toluene sulfonate

vinflunine para-toluene sulfonate

Conditions
ConditionsYield
In ethyl acetate; acetone
benzoic acid
65-85-0

benzoic acid

vinflunine
162652-95-1

vinflunine

vinflunine benzoate

vinflunine benzoate

Conditions
ConditionsYield
In ethyl acetate
(2E)-but-2-enedioic acid
110-17-8

(2E)-but-2-enedioic acid

vinflunine
162652-95-1

vinflunine

vinflunine fumarate
1046795-80-5

vinflunine fumarate

Conditions
ConditionsYield
In methanol; acetone
(R)-Mandelic Acid
611-71-2

(R)-Mandelic Acid

vinflunine
162652-95-1

vinflunine

vinflunine mandelate
1046795-83-8

vinflunine mandelate

Conditions
ConditionsYield
In acetone
L-Lactic acid
79-33-4

L-Lactic acid

vinflunine
162652-95-1

vinflunine

vinflunine lactate

vinflunine lactate

Conditions
ConditionsYield
In acetone
vinflunine
162652-95-1

vinflunine

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

vinflunine para-hydroxy-benzoate
1046795-84-9

vinflunine para-hydroxy-benzoate

Conditions
ConditionsYield
In acetone
vinflunine
162652-95-1

vinflunine

vinflunine hydrobromide

vinflunine hydrobromide

Conditions
ConditionsYield
With hydrogen bromide In water; acetone
vinflunine
162652-95-1

vinflunine

vinflunine sulfate
162809-05-4

vinflunine sulfate

Conditions
ConditionsYield
With sulfuric acid In ethanol; water; acetone
trifluoroacetic acid
76-05-1

trifluoroacetic acid

vinflunine
162652-95-1

vinflunine

C46H54F2N4O9
1007315-29-8

C46H54F2N4O9

Conditions
ConditionsYield
With hexamethylenetetramine at 75℃; for 1h;
vinflunine
162652-95-1

vinflunine

desacetylvinflunine hydrazide
1454288-51-7

desacetylvinflunine hydrazide

Conditions
ConditionsYield
With hydrazine In methanol at 60℃;

Vinflunine Specification

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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