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87719-32-2

87719-32-2 structural image
Product Name: Etarotene
Formula: C25H32O2S
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COMPUTED DESCRIPTORS

Molecular Weight 396.6 g/mol
XLogP3 7.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 396.21230143 g/mol
Monoisotopic Mass 396.21230143 g/mol
Topological Polar Surface Area 42.5 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 672
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Etarotene is an ethylsulfonyl derivative of arotinoic acid with differentiation inducing and potential antineoplastic activities. Like other retinoic acid agents, etarotene binds to and activates retinoic acid receptors (RARs), thereby inducing changes in the expression of certain genes leading to cell differentiation and decreased cell proliferation in susceptible cells.

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