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162652-95-1

162652-95-1 structural image
Product Name: Vinflunine
Formula: C45H54F2N4O8
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CHEMICAL AND PHYSICAL PROPERTIES

Melting Point 244

COMPUTED DESCRIPTORS

Molecular Weight 816.9 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 10
Exact Mass 816.39097102 g/mol
Monoisotopic Mass 816.39097102 g/mol
Topological Polar Surface Area 134 Ų
Heavy Atom Count 59
Formal Charge 0
Complexity 1720
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Vinflunine is an organic heteropentacyclic compound and an organic heterotetracyclic compound that is vinorelbine in which the tetrahydropyridine moiety of the heterotetracyclic part of the molecule has been redced to the corresponding piperidine, and in which the ethyl group attached to this ring has been replaced by a 1,1-difluoroethyl group. It has a role as an antineoplastic agent. It is an organic heteropentacyclic compound, an organic heterotetracyclic compound, a semisynthetic derivative, a methyl ester, an acetate ester and a vinca alkaloid. It is functionally related to a vinorelbine.