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Acetylsalicylic Acid-[d3]

General Information
Catalog: BLP-011764
CAS: 921943-73-9
Molecular Formula: C9H5D3O4
Molecular Weight: 183.18
Chemical Structure
Acetylsalicylic Acid-[d3]
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.
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
Related CAS 50-78-2 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])C(=O)OC1=CC=CC=C1C(=O)O
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
InChI Key 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

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