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Acetylsalicylic Acid-[d4]

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Category Virus Protease
CAS 97781-16-3
Description Acetylsalicylic Acid-[d4] is the labelled analogue of Acetylsalicylic Acid, which is an antithrombotic, anti-inflammatory, antipyretic analgesic. Acetylsalicylic Acid is an inhibitor of Cox-1 and Cox-2.
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Product Information

Synonyms 2-Acetoxybenzoic-3,4,5,6-d4 Acid; Acetylsalicylic Acid-d4; Acylpyrin-d4; Angettes-d4; Aspro-d4; Aspirin-d4; Acetylsalicylic Acid-d4
IUPAC Name 2-acetyloxy-3,4,5,6-tetradeuteriobenzoic acid
Molecular Weight 184.18
Molecular Formula C9H4D4O4
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)/i2D,3D,4D,5D
InChIKey BSYNRYMUTXBXSQ-QFFDRWTDSA-N
Boiling Point 321.39ºC at 760 mmHg
Melting Point 119-132°C
Flash Point 131.156ºC
Purity 95% by HPLC; 98% atom D
Density 1.319g/cm3
Solubility Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance White to Off-white Solid
Storage Store at 2-8°C
Complexity 212
Exact Mass 184.06700
Index Of Refraction 1.551
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.
PSA 63.60000
Target COX; Autophagy; Mitophagy; Virus Protease
XLogP3-AA 1.2

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