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3039-71-2

3039-71-2 structural image
Product Name: U 18666A
Formula: C25H42ClNO2
Synonyms: (3β)-3-[2-(Diethylamino)ethoxy]androst-5-en-17-one hydrochloride;3β-(2-Diethylaminoethoxy)androst-5-en-17-one, HCl;U18666A - CAS 3039-71-2 - Calbiochem
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COMPUTED DESCRIPTORS

Molecular Weight 424.1 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 423.2904073 g/mol
Monoisotopic Mass 423.2904073 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 624
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride is a hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor. It has a role as an EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor, a nicotinic antagonist, a sterol biosynthesis inhibitor, an antiviral agent and a Hedgehog signaling pathway inhibitor. It contains a 3beta-(2-diethylaminoethoxy)androst-5-en-17-one(1+).