CHEBI:78570 - β-aminoarteether maleate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-aminoarteether maleate
ChEBI ID CHEBI:78570
ChEBI ASCII Name beta-aminoarteether maleate
Definition The maleate salt of β-aminoarteether. Synthetic artemisinin derivative with potent immunosuppressive activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H31NO9
Net Charge 0
Average Mass 417.45070
Monoisotopic Mass 417.19988
InChI InChI=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
InChIKey CIKUOKKWYDQNML-QKUGCFMISA-N
SMILES OC(=O)C(O)=O.C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
10-(β-aminoethoxy)dihydroartemisinin maleate ChEBI
2-(10β-dihydroartemisinoxy)ethylamine maleate ChEBI
β-2'-aminoarteether maleate ChEBI
SM934 ChEBI
Registry Number Type Source
18530796 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19772931 PubMed citation Europe PMC
24009768 PubMed citation Europe PMC
Last Modified
12 March 2019