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5-Dehydro Tolvaptan-[d7]

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General Information
Catalog: BLP-013720
CAS: 1296212-29-7
Molecular Formula: C26H16D7ClN2O3
Molecular Weight: 453.97

Chemical Structure

Description	5-Dehydro Tolvaptan-[d7] is the labelled analogue of 5-Dehydro Tolvaptan, which is an intermediate in synthesizing Tolvaptan.
Synonyms	5-Dehydro Tolvaptan-d7; N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide-d7; 7-Chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-5-Oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-d7
IUPAC Name	N-[4-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-3-methylphenyl]-2,3,4,5-tetradeuterio-6-(trideuteriomethyl)benzamide
Related CAS	137973-76-3 (unlabelled)
Canonical SMILES	CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(=O)C4=C3C=CC(=C4)Cl)C
InChI	InChI=1S/C26H23ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,28,31)/i1D3,3D,4D,6D,7D
InChI Key	VENGMROMZOKURN-FFQSSJIFSA-N
Purity	99% by HPLC
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at 2-8°C