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(±)-Ibuprofen-[d3] Sodium Salt

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(±)-Ibuprofen-[d3] Sodium Salt

Name: (±)-Ibuprofen-[d3] Sodium Salt
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-012875
CAS: 1219805-09-0
Molecular Formula: C13H14D3NaO2
Molecular Weight: 231.28

Chemical Structure

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