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CHEBI:149634 - dehydroemetine

ChEBI IDCHEBI:149634
ChEBI Namedehydroemetine
Stars
DefinitionA pyridoisoquinoline which was developed in response to the cardiovascular toxicity associated with emetine and results from the dehydrogenation of the heterotricylic ring of emetine. It is an antiprotozoal agent and displays antimalarial, antiamoebic, and antileishmanial properties.
Secondary ChEBI IDCHEBI:4363
Last Modified1 May 2020
SubmitterPP
DownloadsMolfile
FormulaC29H38N2O4
Net Charge0
Average Mass478.633
Monoisotopic Mass478.28316
SMILES[H][C@@]12CC(C[C@H]3NCCc4cc(OC)c(OC)cc43)=C(CC)CN1CCc1cc(OC)c(OC)cc12
InChIInChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,24-25,30H,6-12,17H2,1-5H3/t24-,25+/m1/s1
InChIKeyXXLZPUYGHQWHRN-RPBOFIJWSA-N
Wikipedia
Roles Classification
Biological Roles:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
Applications:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
ChEBI Ontology
Outgoing Relation(s)
dehydroemetine (CHEBI:149634) has parent hydride emetan (CHEBI:36380)
dehydroemetine (CHEBI:149634) has role antileishmanial agent (CHEBI:70868)
dehydroemetine (CHEBI:149634) has role antimalarial (CHEBI:38068)
dehydroemetine (CHEBI:149634) has role antiprotozoal drug (CHEBI:35820)
dehydroemetine (CHEBI:149634) is a aromatic ether (CHEBI:35618)
dehydroemetine (CHEBI:149634) is a isoquinolines (CHEBI:24922)
dehydroemetine (CHEBI:149634) is a pyridoisoquinoline (CHEBI:61692)
IUPAC Name 
6',7',10,11-tetramethoxy-2,3-didehydroemetan
INNs  Source
dehydroemetineWHO MedNet
dehydroemetinumWHO MedNet
dehidroemetinaWHO MedNet
déhydroémétineWHO MedNet
Synonyms  Source
Ro 1-9334/19ChemIDplus
Ro 1-9334ChemIDplus
BT 436ChemIDplus
Ro-1-9334/19DrugBank
Ro-1933419DrugBank
(−)-R,S-dehydroemetineChEBI
Brand Names  Source
MebadinKEGG DRUG
DametinChEBI
MebadineChEBI
Manual XrefsDatabases
C07996KEGG COMPOUND
D00828KEGG DRUG
3129DrugCentral
DB13865DrugBank
DehydroemetineWikipedia
Registry NumbersSources
CAS:4914-30-1ChemIDplus
Citations