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The Drug Ontology
| Preferred Name | artesunate | |
| Synonyms |
artesunatum artesunic acid dihydroqinghasu hemsuccinate 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 AS artesunate 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 |
|
| alternative label |
artesunatum artesunic acid dihydroqinghasu hemsuccinate 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 AS artesunate 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
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|
| charge |
0
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|
| database_cross_reference |
PMID:26097885 Drug_Central:247 PDBeChem:D95 DrugBank:DB09274 Chemspider:5293084 KEGG:D02482 PMID:33920029 Wikipedia:Artesunate CAS:182824-33-5 PMID:33652561 HMDB:HMDB0240267 PMID:33814617 Reaxys:6003212 PMID:30704910 CAS:88495-63-0 PMID:33792170
|
|
| 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 characteristic |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| 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 |
artesunatum artesunic acid dihydroqinghasu hemsuccinate 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 AS artesunate artesunato
|
|
| has_RxCUI |
18346
|
|
| 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
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|
| 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
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_59770 http://purl.obolibrary.org/obo/CHEBI_72588 http://purl.obolibrary.org/obo/CHEBI_63920 |
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