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N-Desmethyl-Ivabradine-[d6]

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General Information
Catalog: BLP-004979
CAS: 1346746-80-2
Molecular Formula: C26H28D6N2O5
Molecular Weight: 460.60

Chemical Structure

Description	N-Desmethyl-Ivabradine-[d6] is the labelled analogue of N-Desmethyl-Ivabradine, which is a metabolite of Ivabradine.
Synonyms	N-Desmethyl-Ivabradine D6; 3-[3-[[[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]amino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-3-benzazepin-2-one-d6; N-Demethylivabradine-d6; (S)-3-(3-(((3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl)amino)propyl-1,1,2,2,3,3-d6)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one
IUPAC Name	3-[1,1,2,2,3,3-hexadeuterio-3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
Related CAS	215935-23-2 (unlabelled) 1246638-08-3 (unlabelled hydrochloride)
Canonical SMILES	COC1=C(C=C2CC(=O)N(CCC2=C1)CCCNCC3CC4=CC(=C(C=C34)OC)OC)OC
InChI	InChI=1S/C26H34N2O5/c1-30-22-11-17-6-9-28(26(29)14-18(17)12-23(22)31-2)8-5-7-27-16-20-10-19-13-24(32-3)25(33-4)15-21(19)20/h11-13,15,20,27H,5-10,14,16H2,1-4H3/t20-/m1/s1/i5D2,7D2,8D2
InChI Key	NMQMGNXUIKUPAF-HPXVKIBASA-N
Solubility	Slightly soluble in Methanol
Appearance	Off-white Solid
Storage	Store at 2-8°C