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(±)-Ibuprofen-[d3] Sodium Salt

General Information
Catalog: BLP-012875
CAS: 1219805-09-0
Molecular Formula: C13H14D3NaO2
Molecular Weight: 231.28
Chemical Structure
(±)-Ibuprofen-[d3] Sodium Salt
Description (±)-Ibuprofen-[d3] Sodium Salt is the labelled analogue of (±)-Ibuprofen Sodium salt, which could be used as a nonsteroidal anti-inflammatory.
Synonyms (±)-Ibuprofen-d3, Sodium Salt (α-methyl-d3); α-Methyl-4-(isobutyl)phenylacetic Acid-d3, Sodium Salt
IUPAC Name sodium;3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoate
Related CAS 31121-93-4 (unlabelled) 15687-27-1 (unlabelled free base) 121662-14-4 (free base)
Isomeric SMILES [2H]C([2H])([2H])C(C1=CC=C(C=C1)CC(C)C)C(=O)[O-].[Na+]
Canonical SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].[Na+]
InChI InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1/i3D3;
InChI Key PTTPUWGBPLLBKW-FJCVKDQNSA-M
Purity 95% by HPLC; 98% atom D
Solubility Soluble in Methanol (Slightly), Water (Slightly)
Appearance White Solid
Storage Store at -20°C under inert atmosphere

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