Preferred Name |
artesunate |
|
Synonyms |
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 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 |
|
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 |
NCIt:C73005 MeSH:C039726 SNOMEDCT:432555000 Reaxys:6003212 SNOMEDCT:432410005 ChemIDplus:88495-63-0 KEGG DRUG:88495-63-0 ChemIDplus:182824-33-5 NIST Chemistry WebBook:88495-63-0 KEGG DRUG:D02482 PMID:33652561 KEGG:D02482 Drug_Central:247 Chemspider:5293084 PMID:26097885 HMDB:HMDB0240267 PDBeChem:D95 PMID:33920029 PMID:33792170 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_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 |
|
has_role | ||
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 |
|
subClassOf |