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rac 2-Hydroxy Ibuprofen-[d6]

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General Information
Catalog: BLP-003975
CAS: 1217055-71-4
Molecular Formula: C13H12D6O3
Molecular Weight: 228.32

Chemical Structure

Description	rac 2-Hydroxy Ibuprofen-[d6], is the labelled analogue of rac rac 2-Hydroxy Ibuprofen, which is a metabolite of Ibuprofen. Ibuprofen is a medication in the nonsteroidal anti-inflammatory drug class that is used for treating pain, fever, and inflammation.
Synonyms	rac 2-Hydroxy Ibuprofen-d6
IUPAC Name	2-[4-[3,3,3-trideuterio-2-hydroxy-2-(trideuteriomethyl)propyl]phenyl]propanoic acid
Related CAS	51146-55-5 (unlabelled)
Canonical SMILES	CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O
InChI	InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)/i2D3,3D3
InChI Key	UJHKVYPPCJBOSG-XERRXZQWSA-N
Boiling Point	369.4±22.0°C at 760 mmHg
Melting Point	124-126°C
Purity	98% by CP; 98% atom D
Density	1.1±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at-20°C