EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:166514 - Desethylchloroquine

ChEBI IDCHEBI:166514
ChEBI NameDesethylchloroquine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22ClN3
Net Charge0
Average Mass291.826
Monoisotopic Mass291.15023
SMILESCCNCCCC(C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyMCYUUUTUAAGOOT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Desethylchloroquine (CHEBI:166514) is a aminoquinoline (CHEBI:36709)
IUPAC Name 
4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine
Manual XrefsDatabases
HMDB0041870HMDB
86173ChemSpider
Registry NumbersSources
CAS:1476-52-4ChemIDplus