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Artesunate-d4

CAT: 0572-TRC-A777803-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A777803-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1316753-15-7
Synonyms
Butanedioic Acid Mono(3R,5aS,6R,8aS,9R,10R,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] Ester-d4; Artesunic Acid-d4;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
C[C@H]1[C@@](CC[C@@](C)(OO2)O3)([H])[C@]2([C@]3([H])O[C@](OC(C([2H])([2H])C([2H])([2H])C(O)=O)=O)([H])[C@@]4(C)[H])[C@@]4([H])CC1
Molecular Formula
C19H24D4O8
Molecular Weight
388.45
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Artesunate-d4

See also: Artesunate (annotation moved to); beta-Artesunate (annotation moved to).

CAS Number1316753-15-7
PubChem CID71313493
IUPAC Name2,2,3,3-tetradeuterio-4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid
Molecular FormulaC19H28O8
Molecular Weight388.4
XLogP2.5
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity623
SMILES
[2H]C([2H])(C(=O)O)C([2H])([2H])C(=O)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/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1/i6D2,7D2
InChIKey
FIHJKUPKCHIPAT-SIUCRFQGSA-N
Chemical Structure
2D Structure
2D structure of Artesunate-d4
CAS: 1316753-15-7
CID: 71313493
Formula: C19H28O8
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass388.20352483
Monoisotopic Mass388.20352483
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity623
Isotope Atom Count4
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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