Chemical Properties of Hydroxychloroquine (CAS 118-42-3)

InChI

InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)

InChI Key

XXSMGPRMXLTPCZ-UHFFFAOYSA-N

Formula

C18H26ClN3O

SMILES

CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12

Molecular Weight¹

335.87

CAS

118-42-3

Other Names

Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-
Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]ethylamino]-
Oxychlorochin
Plaquenil
Quensyl
Win 1258-2
WIN 1258
7-Chloro-4-(4-(N-ethyl-N-«beta»-hydroxyethylamino)-1-methylbutylamino)quinoline
7-Chloro-4-(4-(ethyl(2-hydroxyethyl)amino)-1-methylbutylamino)quinoline
7-Chloro-4-(5-(N-ethyl-N-2-hydroxyethylamino)-2-pentyl)aminoquinoline
2-((4-((7-Chloro-4-quinolyl)amino)pentyl)ethylamino)ethanol
Oxichloroquine
Oxychloroquine
(.+/-.)-Hydroxychloroquine

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-5.03		Crippen Calculated Property
logP_oct/wat	3.783		Crippen Calculated Property
McVol	269.310	ml/mol	McGowan Calculated Property
I_np	[2872.00; 2872.00]
I_np	2872.00		NIST
I_np	2872.00		NIST

Similar Compounds

Find more compounds similar to Hydroxychloroquine.

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