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138977-28-3

138977-28-3 structural image
Product Name: CAPSAZEPINE
Formula: C19H21ClN2O2S
Synonyms: Capsazepine - CAS 138977-28-3 - Calbiochem;N-[2-(4-Chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide
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COMPUTED DESCRIPTORS

Molecular Weight 376.9 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 376.1012268 g/mol
Monoisotopic Mass 376.1012268 g/mol
Topological Polar Surface Area 87.8 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 445
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

Capsazepine is a benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist. It has a role as a capsaicin receptor antagonist. It is a member of catechols, a member of thioureas, a benzazepine and a member of monochlorobenzenes.