Artemether
PubChem CID: 68911
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| Compound Synonyms | Artemether, 71963-77-4, beta-Artemether, Dihydroartemisinin methyl ether, Artemetero, Artemetherum, Artesaph, Falcidol, Malartem, Paluther, Gvither, Methyl-dihydroartemisinine, Artemisininelactol methyl ether, Artemetheri, Larither, beta-Dihydroartemisinin methyl ether, SM 224, Artemetero [INN-Spanish], Artemetherum [INN-Latin], Dihydroqinghaosu methyl ether, Dihydroquinghaosu methyl ether, HSDB 7456, CHEBI:195280, .beta.-Artemether, Artemether [USAN:INN:BAN], NSC 665970, DTXSID7040651, Artemether [INN], Dihydroartemisinin impurity g, C7D6T3H22J, Artenam, DTXCID30819889, (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, (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane, Artemos, CPD000469218, O-Methyldihydroartemisinine, Artemetero (INN-Spanish), Artemetherum (INN-Latin), (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-10-methoxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, 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, 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, (3-alpha,5a-beta,6-beta,8a-beta,9-alpha,12-beta,12aR)-, (+)-, SM-224, NSC-665970, NSC-759820, methoxy(trimethyl)[?], (3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-methoxy-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepine, 3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-, ARTEMETHER [MI], ARTEMETHER [JAN], ARTEMETHER [HSDB], ARTEMETHER [USAN], (+)-ARTEMETHER, ARTEMETHER [VANDF], ARTEMETHER (MART.), ARTEMETHER [MART.], ARTEMETHER (USP-RS), ARTEMETHER [USP-RS], ARTEMETHER [WHO-DD], ARTEMETHER [WHO-IP], ARTEMETHER [ORANGE BOOK], UNII-C7D6T3H22J, Artimist, Qinghao, SM224, beta artemether, COARTEM COMPONENT ARTEMETHER, ARTEMETHERUM [WHO-IP LATIN], NSC665970, .beta.-Dihydroartemisinin methyl ether, NCGC00164591-01, (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, (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo(10.3.1.04,13.08,13)hexadecane, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-Methoxy-3,6,9-trimethyldecahydro-1H-3,12-epoxy(1,2)dioxepino(4,3-i)isochromene, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-Methoxy-3,6,9-trimethyldecahydro-1H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromene, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-methoxy-3,6,9-trimethyldecahydro-3,12-epoxypyrano(4,3-j)(1,2)benzodioxepine, 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, 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-, O Methyldihydroartemisinine, o-methyl-dihydroartemisinin, MLS001424249, Artemether (JAN/USAN/INN), CHEMBL566534, GTPL9955, SCHEMBL1650501, Artemether, >=98% (HPLC), P01BE02, GLXC-03969, HMS2052L09, HMS2232J21, (3R,5AS,6R,8AS,9R,10S,12R,12AR)-10-METHOXY-3,6,9-TRIMETHYLDECAHYDRO-3,12-EPOXYPYRANO(4,3-J)-1,2-BENZODIOXEPINE, HY-N0402, Tox21_112217, BDBM50248200, AKOS026750084, ARTEMETHER COMPONENT OF COARTEM, CCG-101180, DB06697, FA17991, NC00430, NCGC00164591-11, Artemether 100 microg/mL in Acetonitrile, SMR000469218, CAS-71963-77-4, NS00001253, D02483, EN300-122380, AB00698368-05, AB00698368_06, Q416199, BRD-K39621635-001-05-5, Z1541759910, Artemether, United States Pharmacopeia (USP) Reference Standard, (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, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-methoxy-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromene, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-10-methoxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano, (3r,5as,6r,8as,9r,10s,12r,12ar)-decahydro-10methoxy-3,6,9-trimethyl-3,12-epoxy-12h-pyrano[4,3-j]-1,2benzodioxepin, 663-549-0, 695-829-3, D8Z |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Uniprot Id | P08684, P11712, P33261, P10635, P20813, P20815, n.a., P02545, P25094, O75496, O95342, Q92887, O15438, O15439, P0DTD1 |
| Iupac Name | (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Target Id | NPT483 |
| Xlogp | 3.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C16H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXYIRMFQILZOAM-HVNFFKDJSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.443 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 3.035 |
| Synonyms | (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, 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, Artemetero, Artemetherum, Artemisininelactol methyl ether, beta-Artemether, beta-Dihydroartemisinin methyl ether, Dihydroartemisinin methyl ether, Methyl-dihydroartemisinine, b-Artemether, Β-artemether, b-Dihydroartemisinin methyl ether, Β-dihydroartemisinin methyl ether, Artemether, (3R-(3alpha,5abeta,6alpha,8abeta,9alpha,10beta,12beta,12ar*))-isomer, Artemether, (3R-(3alpha,5abeta,6beta,8aalpha,9alpha,10beta,12beta,12ar*))-isomer, Artemether, (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,12ar*))-isomer, Artenam, beta-Arthemeter, O-Methyldihydroartemisinine, O Methyldihydroartemisinine, alpha-Artemether, beta Arthemeter, alpha Artemether |
| Compound Name | Artemether |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -3.8478498 |
| 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 |
| Smiles | C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Artemisinins |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all