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86-42-0

86-42-0 structural image
Product Name: Amodiaquine
Formula: C20H22ClN3O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Crystals from absolute ethanol
Melting Point 206-208
Solubility 24.9 [ug/mL] (The mean of the results at pH 7.4)
LogP 3.7
Collision Cross Section 191.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties Yellow bitter crystals. Decomposes at 150-160 °C. UV max (methanol) 342 nm; 341.5 nm (water). Soluble in water, sparingly soluble in alcohol. Very slightly soluble in benzene, chloroform, and ether. pH 1% aqueous soln = 4-4.8. /Amodiaquine dihydrochloride dihydrate/

COMPUTED DESCRIPTORS

Molecular Weight 355.9 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 355.1451400 g/mol
Monoisotopic Mass 355.1451400 g/mol
Topological Polar Surface Area 48.4 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 406
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

Amodiaquine is a quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position. It has a role as an antimalarial, a non-steroidal anti-inflammatory drug, a drug allergen, a prodrug, an EC 2.1.1.8 (histamine N-methyltransferase) inhibitor and an anticoronaviral agent. It is a member of phenols, an aminoquinoline, a secondary amino compound, a tertiary amino compound and an organochlorine compound. It is a conjugate base of an amodiaquine(1+).

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