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Acetylsalicylic Acid-[d3]

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General Information
Catalog: BLP-011764
CAS: 921943-73-9
Molecular Formula: C9H5D3O4
Molecular Weight: 183.18

Chemical Structure

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