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Chemical Entities of Biological Interest Ontology
| Preferred Name | artesunate | |
| Synonyms |
artesunate AS artesunatum dihydroqinghasu hemsuccinate artesunic acid butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester artesunato 4-oxo-4-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-yl]oxy}butanoic acid |
|
| Definitions |
An artemisinin derivative that is the hemisuccinate ester of the lactol resulting from the reduction of the lactone carbonyl group of artemisinin. It is used, generally as the sodium salt, for the treatment of malaria. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63918 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:33652561 KEGG:D02482 Drug_Central:247 Chemspider:5293084 PMID:26097885 HMDB:HMDB0240267 PDBeChem:D95 PMID:33920029 PMID:33792170 Reaxys:6003212 CAS:182824-33-5 PMID:30704910 DrugBank:DB09274 PMID:33814617 CAS:88495-63-0 Wikipedia:Artesunate
|
|
| definition |
An artemisinin derivative that is the hemisuccinate ester of the lactol resulting from the reduction of the lactone carbonyl group of artemisinin. It is used, generally as the sodium salt, for the treatment of malaria.
|
|
| formula |
C19H28O8
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_exact_synonym |
4-oxo-4-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-yl]oxy}butanoic acid
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
artesunate AS artesunatum dihydroqinghasu hemsuccinate artesunic acid butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester artesunato
|
|
| id |
CHEBI:63918
|
|
| in_subset | ||
| inchi |
InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1
|
|
| inchikey |
FIHJKUPKCHIPAT-AHIGJZGOSA-N
|
|
| label |
artesunate
|
|
| mass |
384.425
|
|
| monoisotopicmass |
384.17842
|
|
| notation |
CHEBI:63918
|
|
| prefLabel |
artesunate
|
|
| smiles |
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@@H](OC(=O)CCC(O)=O)[C@@H]2C)O4
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|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_59770 http://purl.obolibrary.org/obo/CHEBI_72588 http://purl.obolibrary.org/obo/CHEBI_63920 http://purl.obolibrary.org/obo/CHEBI_36244 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_59770 http://purl.obolibrary.org/obo/CHEBI_72588 http://purl.obolibrary.org/obo/CHEBI_63920 http://purl.obolibrary.org/obo/CHEBI_36244 |
| Delete | Subject | Author | Type | Created |
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