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101828-21-1

101828-21-1 structural image
Product Name: Butenafine
Formula: C23H27N
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Solubility Slightly soluble (HCl salt)
LogP 6.6

COMPUTED DESCRIPTORS

Molecular Weight 317.5 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 317.214349865 g/mol
Monoisotopic Mass 317.214349865 g/mol
Topological Polar Surface Area 3.2 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 374
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Butenafine is trimethylamine in which hydrogen atoms attached to different methyl groups are substituted by 1-naphthyl and 4-tert-butylphenyl groups. It is an inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, and is used as its hydrochloride salt for treatment of dermatological fungal infections. It has a role as an EC 1.14.13.132 (squalene monooxygenase) inhibitor and an antifungal drug. It is a tertiary amine and a member of naphthalenes.