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94497-51-5

94497-51-5 structural image
Product Name: Tamibarotene
Formula: C22H25NO3
Synonyms: AM80;Amnoid;AMNOLAKE;N-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl)-2-naphthyl)terephthalamic acid;N-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)terephthalamic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Solubility 5.75e-04 g/L

COMPUTED DESCRIPTORS

Molecular Weight 351.4 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 351.18344366 g/mol
Monoisotopic Mass 351.18344366 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 546
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

Tamibarotene is a dicarboxylic acid monoamide resulting from the condensation of one of the carboxy groups of terephthalic acid with the amino group of 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine. It has a role as an antineoplastic agent and a retinoic acid receptor alpha/beta agonist. It is a member of tetralins, a retinoid and a dicarboxylic acid monoamide. It is functionally related to a 4-carbamoylbenzoic acid and a terephthalic acid.