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95635-55-5

95635-55-5 structural image
Product Name: Ranolazine
Formula: C24H33N3O4
Synonyms: (±)-N-(2,6-Dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-ylacetamide;(±)-4-[2-Hydroxy-3-(o-methoxyphenoxy)propyl]-1-piperazineaceto-2′,6′-xylidide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form White to off-white solid
Boiling Point 624.1
Melting Point 120-124
Solubility <1 mg/ml
LogP 2.07
Dissociation Constants 2.2
Collision Cross Section 205.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties MW: 500.46 White to crystalline powder from methanol/ether; mp 164-166 °C. Readily soluble in water. /Dihydrochloride/

COMPUTED DESCRIPTORS

Molecular Weight 427.5 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 427.24710654 g/mol
Monoisotopic Mass 427.24710654 g/mol
Topological Polar Surface Area 74.3 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 531
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide is an aromatic amide obtained by formal condensation of the carboxy group of 2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetic acid with the amino group of 2,6-dimethylaniline. It is a monocarboxylic acid amide, an aromatic amide, a N-alkylpiperazine, a secondary alcohol and a monomethoxybenzene.

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