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Zileuton-[d4]

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General Information
Catalog: BLP-012663
CAS: 1189878-76-9
Molecular Formula: C11H8D4N2O2S
Molecular Weight: 240.31

Chemical Structure

Description	Zileuton-[d4] is the labelled analogue of Zileuton, which is a 5-lipoxygenase inhibitor and could be used as an antiasthmatic agent.
Synonyms	Zileuton D4; N-(1-Benzo[b]thien-2-yl-ethyl)-N-hydroxyurea-d4
IUPAC Name	1-[1-(1-benzothiophen-2-yl)-1,2,2,2-tetradeuterioethyl]-1-hydroxyurea
Related CAS	111406-87-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])(C1=CC2=CC=CC=C2S1)N(C(=O)N)O
Canonical SMILES	CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O
InChI	InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)/i1D3,7D
InChI Key	MWLSOWXNZPKENC-CWIRFKENSA-N
Boiling Point	449.4±47.0 °C at 760 mmHg
Melting Point	151-153°C
Purity	95% by HPLC; 98% atom D
Density	1.4±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White Solid
Storage	Store at -20°C