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CHEBI:78570 - β-aminoarteether maleate

ChEBI IDCHEBI:78570
ChEBI Nameβ-aminoarteether maleate
Stars
ASCII Namebeta-aminoarteether maleate
DefinitionThe maleate salt of β-aminoarteether. Synthetic artemisinin derivative with potent immunosuppressive activity.
Last Modified12 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H29NO5.C2H2O4
Net Charge0
Average Mass417.455
Monoisotopic Mass417.19988
SMILESO=C(O)C(=O)O.[H][C@]12O[C@H](OCCN)[C@H](C)[C@]3([H])CC[C@@H](C)[C@]4([H])CC[C@@](C)(OO[C@]143)O2
InChIInChI=1S/C17H29NO5.C2H2O4/c1-10-4-5-13-11(2)14(19-9-8-18)20-15-17(13)12(10)6-7-16(3,21-15)22-23-17;3-1(4)2(5)6/h10-15H,4-9,18H2,1-3H3;(H,3,4)(H,5,6)/t10-,11-,12+,13+,14+,15-,16-,17-;/m1./s1
InChIKeyCIKUOKKWYDQNML-QKUGCFMISA-N
Roles Classification
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
β-aminoarteether maleate (CHEBI:78570) has part β-aminoarteether (CHEBI:78567)
β-aminoarteether maleate (CHEBI:78570) has role allergen (CHEBI:50904)
β-aminoarteether maleate (CHEBI:78570) is a maleate salt (CHEBI:50221)
IUPAC Names 
2-[[(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]oxy]ethanamine ethanedioate (1:1)
2-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}ethanamine ethanedioate (1:1)
Synonyms  Source
SM934ChEBI
2-(10β-dihydroartemisinoxy)ethylamine maleateChEBI
10-(β-aminoethoxy)dihydroartemisinin maleateChEBI
β-2'-aminoarteether maleateChEBI
Registry NumbersSources
Reaxys:18530796Reaxys
Citations