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Nabumetone-[d3]

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Nabumetone-[d3]

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General Information
Catalog: BLP-012467
CAS: 1216770-08-9
Molecular Formula: C15H13D3O2
Molecular Weight: 231.3

Chemical Structure

Description	Nabumetone-[d3] is the labelled analogue of Nabumetone, which is a non-steroidal anti-inflammatory drug and its active metabolite inhibits the COX.
Synonyms	Nabumetone D3; 4-[6-(Methoxy-d3)-2-naphthalenyl]-2-butanone; 1-(2'-Methoxy-d3-naphth-6'-yl)butan-3-one
IUPAC Name	4-[6-(trideuteriomethoxy)naphthalen-2-yl]butan-2-one
Related CAS	42924-53-8 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)C
Canonical SMILES	CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC
InChI	InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3/i2D3
InChI Key	BLXXJMDCKKHMKV-BMSJAHLVSA-N
Boiling Point	371.1±17.0 °C at 760 mmHg
Melting Point	79-81°C
Purity	95% by HPLC; 95% atom D
Density	1.1±0.1 g/cm3
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	White to Off-white Solid
Storage	Store at -20°C