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Experimental Factor Ontology
Last uploaded:
December 16, 2024
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| 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 |
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| 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. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_63918 |
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| charge |
0
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| database_cross_reference |
PMID:26097885 Drug_Central:247 PDBeChem:D95 DrugBank:DB09274 NCIt:C73005 Chemspider:5293084 KEGG:D02482 PMID:33920029 Wikipedia:Artesunate MeSH:C039726 CAS:182824-33-5 SNOMEDCT:432555000 PMID:33652561 HMDB:HMDB0240267 PMID:33814617 Reaxys:6003212 PMID:30704910 SNOMEDCT:432410005 ChemIDplus:88495-63-0 CAS:88495-63-0 KEGG DRUG:88495-63-0 ChemIDplus:182824-33-5 NIST Chemistry WebBook:88495-63-0 PMID:33792170 KEGG DRUG:D02482
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|
| 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.
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| formula |
C19H28O8
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| has characteristic | ||
| 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
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| has_obo_namespace |
chebi_ontology
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| 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
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| has_role | ||
| id |
CHEBI:63918
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| 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
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|
| label |
artesunate
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|
| mass |
384.425
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|
| monoisotopicmass |
384.17842
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|
| notation |
CHEBI:63918
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| preferred label |
artesunate
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|
| prefLabel |
artesunate
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| 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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| subClassOf |
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