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Entacapone-[d10]

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General Information
Catalog: BLP-012337
CAS: 1185241-19-3
Molecular Formula: C14H5D10N3O5
Molecular Weight: 315.35

Chemical Structure

Description	Entacapone-[d10] is the labelled analogue of Entacapone. Entacapone is a medication commonly used in combination with other medications for the treatment of Parkinson's disease.
Synonyms	Entacapone D10; (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-di-(ethyl-d5)-2-propenamide
IUPAC Name	2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)prop-2-enamide
Related CAS	130929-57-6 (unlabelled)
Canonical SMILES	CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N
InChI	InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/i1D3,2D3,3D2,4D2
InChI Key	JRURYQJSLYLRLN-MWUKXHIBSA-N
Boiling Point	526.6±50.0 °C at 760 mmHg
Melting Point	>147°C (dec.)
Purity	95% by HPLC; 95% atom D
Density	1.4±0.1 g/cm3
Solubility	Soluble in Methanol
Appearance	Yellow to Orange Solid
Storage	Store at -20°C