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Theophyllidine-[d6] Hydrochloride

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General Information
Catalog: BLP-004617
CAS: 1329613-52-6
Molecular Formula: C6H5D6ClN4O
Molecular Weight: 196.67

Chemical Structure

Description	Theophyllidine-[d6] Hydrochloride is a labelled impurity of Dyphylline which is a xanthine derivative with broncho and vasodilator properties.
Synonyms	N-(Methyl-d3)-5-(methylamino-d3)-1H-imidazole-4-carboxamide Hydrochloride; N-(Methyl-d3)-5(or 4)-(methylamino-d3)-imidazole-4(or 5)-carboxamide Hydrochloride
IUPAC Name	N-(trideuteriomethyl)-4-(trideuteriomethylamino)-1H-imidazole-5-carboxamide;hydrochloride
Related CAS	116131-08-9 (unlabelled) 1329746-04-4 (free base)
Canonical SMILES	CNC1=C(NC=N1)C(=O)NC.Cl
InChI	InChI=1S/C6H10N4O.ClH/c1-7-5-4(6(11)8-2)9-3-10-5;/h3,7H,1-2H3,(H,8,11)(H,9,10);1H/i1D3,2D3;
InChI Key	OAHAZBQSUILUIJ-TXHXQZCNSA-N