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CHEBI:135558 - bulaquine

ChEBI IDCHEBI:135558
ChEBI Namebulaquine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H27N3O3
Net Charge0
Average Mass369.465
Monoisotopic Mass369.20524
SMILESCOc1cc(NC(C)CCCN/C(C)=C2/CCOC2=O)c2ncccc2c1
InChIInChI=1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15-
InChIKeyADCOUXIGWFEYJP-SDXDJHTJSA-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)
bulaquine (CHEBI:135558) is a aminoquinoline (CHEBI:36709)
Synonyms  Source
elubaquineDrugCentral
aablaquineDrugCentral
Manual XrefsDatabases
425DrugCentral
Registry NumbersSources
CAS:79781-00-3DrugCentral