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Acetylsalicylic Acid-[d3]

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Category Virus Protease
CAS 921943-73-9
Description Acetylsalicylic Acid-[d3] is the labelled analogue of Acetylsalicylic Acid, which is a nonsteroidal anti-inflammatory drug (NSAID) used for the treatment of pains and inflammations.
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Product Information

Synonyms Acetylsalicylic Acid D3; Aspirin-d3; 2-Acetoxybenzoic Acid-d3; 2-(Acetyloxy)benzoic Acid-d3; 2-(Acetyl-2,2,2-d3-oxy)-benzoic Acid; Acetyl-d3-salicylic Acid; O-Acetylsalicylic Acid-d3; O-Acetoxybenzoic Acid-d3; Acylpyrin-d3
IUPAC Name 2-(2,2,2-trideuterioacetyl)oxybenzoic acid
Molecular Weight 183.18
Molecular Formula C9H5D3O4
Canonical SMILES CC(=O)OC1=CC=CC=C1C(=O)O
InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i1D3
InChIKey BSYNRYMUTXBXSQ-FIBGUPNXSA-N
Melting Point 134-136 °C
Purity ≥97%; ≥97% atom D
Density 2.6±0.1 g/cm3
Solubility Soluble in Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly)
Appearance White Solid
Storage Store at -20°C under inert atmosphere
Complexity 212
Exact Mass 539.00197477
Index Of Refraction 1.804
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target COX; Autophagy; Mitophagy; Virus Protease
XLogP3-AA 1.2

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