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145858-52-2

145858-52-2 structural image
Product Name: Fumarate
Formula: C4H2O4-2
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COMPUTED DESCRIPTORS

Molecular Weight 965.7 g/mol
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 12
Exact Mass 964.1986241 g/mol
Monoisotopic Mass 964.1986241 g/mol
Topological Polar Surface Area 317 Ų
Heavy Atom Count 68
Formal Charge 0
Complexity 499
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 5
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Liarozole Fumarate is the orally active fumarate salt of the benzimidazole derivative liarozole with potential antineoplastic activity. As a retinoic acid metabolism blocking agent (RAMBA), liarozole inhibits cytochrome P450-dependent all-trans-retinoic acid (ATRA)-4-hydroxylase, resulting in an increase in endogenous ATRA production, inhibition of cell proliferation, and induction of cell differentiation. This agent also inhibits aromatase, the enzyme that catalyzes the final, rate-limiting step in estrogen biosynthesis.