Molecular Identity
Hydroxychloroquine
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol
PubChem CID: 3652
Hydroxychloroquine is an aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions. It has a role as an anticoronaviral agent, an antirheumatic drug, an antimalarial and a dermatologic drug. It is a primary alcohol, an organochlorine compound, an aminoquinoline, a secondary amino compound and a tertiary amino compound. It is functionally related to a chloroquine. It is a conjugate base of a hydroxychloroquine(2+).
2D Structure
Properties
C18H26ClN3O
Molecular Formula
335.90
Molecular Weight
g/mol
335.1764
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
48.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
331
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCOIsomeric SMILES
SMILES: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCOSynonyms(20)
hydroxychloroquine118-42-3OxichloroquineOxychlorochinHidroxicloroquinaoxichlorochinePolirreuminHydroxychloroquinum2-((4-((7-Chloro-4-quinolyl)amino)pentyl)ethylamino)ethanolDolquine7-Chloro-4-(4-(ethyl(2-hydroxyethyl)amino)-1-methylbutylamino)quinoline4QWG6N8QKH2-(N-(4-(7-Chlor-4-chinolylamino)-4-methylbutyl)ethylamino)ethanol7-Chloro-4-(4-(N-ethyl-N-beta-hydroxyethylamino)-1-methylbutylamino)quinolineCHEBI:5801
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Hydroxychloroquine
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