(1R,4S,5R,8S,9R,10S,12R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

• ChemBase ID: 125946
• Molecular Formular: C16H26O5
• Molecular Mass: 298.37464
• Monoisotopic Mass: 298.17802393
• SMILES: C[C@@H]1CC[C@@H]2C34OO[C@](C)(CC[C@@H]13)O[C@H]4O[C@H](OC)[C@@H]2C
• Canonical SMILES: CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3
• 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-LJXHFVHTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,4S,5R,8S,9R,10S,12R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^4,^1^3.0^8,^1^3]hexadecane
• IUPAC Traditional name: artemether
• Synonyms: Artemether

Database IDs

• CAS Number: 71963-77-4
• PubChem SID: 162220289
• PubChem CID: 68911; 45357887
• CHEBI ID: 195280
• ATC CODE: P01BE02
• CHEMBL: 1237051
• Chemspider ID: 62138
• DrugBank ID: DB06697
• KEGG ID: D02483
• Unique Ingredient Identifier: C7D6T3H22J
• Wikipedia Title: Artemether

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.481392
• LogD (pH = 7.4): 3.481392
• Log P: 3.481392
• Molar Refractivity: 74.6605 cm^3
• Polarizability: 30.79904 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: POM (UK)
• Pregnancy Category: C (US)