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67198-13-4

67198-13-4 structural image
Product Name: trans-(-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamidehydrochloride
Formula: C19H26Cl2N2O
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COMPUTED DESCRIPTORS

Molecular Weight 369.3 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 368.1422188 g/mol
Monoisotopic Mass 368.1422188 g/mol
Topological Polar Surface Area 23.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 428
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

U50488 is a monocarboxylic acid amide obtained by formal condensation between the carboxy group of 3,4-dichlorophenylacetic acid and the secondary amino group of (1R,2R)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine It has a role as a kappa-opioid receptor agonist, a diuretic, an analgesic, an antitussive and a calcium channel blocker. It is a N-alkylpyrrolidine, a monocarboxylic acid amide and a dichlorobenzene.