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α-Artemether-d3

CAT: 0804-HY-W703432-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W703432-01Size:1 mg
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Description
α-Artemether-d3 (Methoxy-d3) is the deuterium labeled α-Artemether. α-Artemether is an antimalarial compound[1].
CAS Number
93861-34-8
Product Name Alternative
Methoxy-d3
UNSPSC
12352005
Target
Isotope-Labeled Compounds; Parasite
Related Pathways
Anti-infection; Others
Field of Research
Infection
Smiles
[H][C@@]12CC[C@](C)(O[C@]3(O[C@H]([C@@H]4C)OC([2H])([2H])[2H])[H])OO[C@@]13[C@@]4([H])CC[C@H]2C
Molecular Formula
C16H23D3O5
Molecular Weight
301.39
References & Citations
[1]Rashmi Gaur, et al. Biotransformation of artemisinin derivatives by Glycyrrhiza glabra, Lavandula officinalis, and Panax quinquefolium. 23, pages1202-1206 (2014) .
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

alpha-Artemether-d3
CAS Number93861-34-8
PubChem CID71313490
IUPAC Name(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-10-(trideuteriomethoxy)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Molecular FormulaC16H26O5
Molecular Weight301.39
XLogP3.1
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity429
SMILES
[2H]C([2H])([2H])O[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C
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/i4D3
InChIKey
SXYIRMFQILZOAM-LPUWUMSVSA-N
Chemical Structure
2D Structure
2D structure of alpha-Artemether-d3
CAS: 93861-34-8
CID: 71313490
Formula: C16H26O5
MW: 301.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.39
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass301.19685416
Monoisotopic Mass301.19685416
Topological Polar Surface Area46.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity429
Isotope Atom Count3
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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