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CHEBI:135951 - pyronaridine

Default Structure
ChEBI IDCHEBI:135951
ChEBI Namepyronaridine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC29H32ClN5O2
Net Charge0
Average Mass518.061
Monoisotopic Mass517.22445
SMILESCOc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1
InChIInChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)
InChIKeyDJUFPMUQJKWIJB-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)
pyronaridine (CHEBI:135951) has role antiinfective agent (CHEBI:35441)
pyronaridine (CHEBI:135951) has role antimalarial (CHEBI:38068)
pyronaridine (CHEBI:135951) has role antiviral agent (CHEBI:22587)
pyronaridine (CHEBI:135951) has role ophthalmology drug (CHEBI:66981)
pyronaridine (CHEBI:135951) is a aminoquinoline (CHEBI:36709)
pyronaridine (CHEBI:135951) is a organic molecular entity (CHEBI:50860)
pyronaridine (CHEBI:135951) is a organohalogen compound (CHEBI:17792)
pyronaridine (CHEBI:135951) is a quinolines (CHEBI:26513)
INNs  Source
pironaridinaWHO MedNet
pyronaridineWHO MedNet
Synonyms  Source
malaridineDrugCentral
pyronaridine tetraphosphateDrugCentral
Manual XrefsDatabases
4339DrugCentral
Registry NumbersSources
CAS:74847-35-1DrugCentral
Citations