Marvin  11020915572D          

 24 27  0  0  1  0            999 V2000
   16.4957  -10.5233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7811  -10.9341    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.2171  -10.9410    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4992   -9.7017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5532  -10.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0078  -10.6303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7846  -11.7695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2171  -11.7695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.9282  -10.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2171   -9.2874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.0573   -9.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5567   -9.6223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7627   -9.8397    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4992  -12.1837    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.9317  -12.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9282   -9.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2171   -8.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2288   -9.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9446   -9.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5026  -13.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0596  -11.3414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9248  -11.3518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4957   -8.8766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7806  -13.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  1  0  0  0
  9 16  1  0  0  0  0
 10 17  1  6  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  1  0  0  0
  8 14  1  0  0  0  0
 10 16  1  0  0  0  0
 13 12  1  6  0  0  0
 13 18  1  0  0  0  0
  2 21  1  1  0  0  0
  3 22  1  6  0  0  0
  4 23  1  6  0  0  0
 20 24  1  0  0  0  0
M  END
> <ID>
CHEBI:195280

> <NAME>
artemether

> <DEFINITION>
An artemisinin derivative that is artemisinin in which the lactone has been converted to the corresponding lactol methyl ether. It is used in combination with lumefantrine as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.

> <STAR>
3

> <SYNONYM>
methyl-dihydroartemisinine; dihydroartemisinin methyl ether; beta-dihydroartemisinin methyl ether; beta-artemether; artemisininelactol methyl ether; 10-methoxy-1,5,9-trimethyl-(1R,4S,5R,8S,9R,10S,12R,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane; (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecane

> <IUPAC_NAME>
(3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-methoxy-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepine

> <INN>
artemetherum; artemether; artemetero

> <FORMULA>
C16H26O5

> <MASS>
298.37460

> <MONOISOTOPIC_MASS>
298.17802

> <CHARGE>
0

> <SMILES>
[H][C@@]12CC[C@@]3(C)OO[C@@]11[C@@]([H])(CC[C@H]2C)[C@@H](C)[C@@H](OC)O[C@]1([H])O3

> <INCHI>
InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1

> <INCHIKEY>
SXYIRMFQILZOAM-HVNFFKDJSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6569878

> <CAS_REGISTRY_NUMBER>
71963-77-4

> <CHEMIDPLUS>
71963-77-4

> <DRUGBANK_ACCESSION>
DB06697

> <KEGG_DRUG_ACCESSION>
D02483

> <LINCS_ACCESSION>
LSM-5519

> <WIKIPEDIA_ACCESSION>
Artemether

> <PUBMED_CITATION>
11141088; 12781185; 16033274; 17242150; 17404003; 18243702; 3279208

$$$$