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N-((1-(2-(tert-Butylamino)-2-oxoethyl)piperidin-4-yl)methyl)-3-chloro-5-fluorobenzamide-[d9] Hydrochloride Salt

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General Information
Catalog: BLP-006304
CAS: 1346604-21-4
Molecular Formula: C19H18D9ClFN3O2.HCl
Molecular Weight: 429.40

Chemical Structure

Description	N-((1-(2-(tert-Butylamino)-2-oxoethyl)piperidin-4-yl)methyl)-3-chloro-5-fluorobenzamide-[d9] Hydrochloride Salt is the labelled salt of N-((1-(2-(tert-Butylamino)-2-oxoethyl)piperidin-4-yl)methyl)-3-chloro-5-fluorobenzamide, which is a selective T-type Ca2+ channel blocker.
Synonyms	N-((1-(2-(tert-Butylamino)-2-oxoethyl)piperidin-4-yl)methyl)-3-chloro-5-fluorobenzamide-d9 Hydrochloride Salt; 4-[[(3-Chloro-5-fluorobenzoyl)amino]methyl]-N-(1,1-dimethylethyl-d9)-1-piperidineacetamide Hydrochloride Salt
IUPAC Name	3-chloro-5-fluoro-N-[[1-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]methyl]benzamide;hydrochloride
Related CAS	1797986-84-5 (unlabelled) 1199236-64-0 (unlabelled free base)
Isomeric SMILES	[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)CN1CCC(CC1)CNC(=O)C2=CC(=CC(=C2)Cl)F.Cl
Canonical SMILES	CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)C2=CC(=CC(=C2)Cl)F.Cl
InChI	InChI=1S/C19H27ClFN3O2.ClH/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14;/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25);1H/i1D3,2D3,3D3;
InChI Key	JRMXLKZWGMAABP-KYRNGWDOSA-N
Melting Point	142-148°C
Purity	96%; ≥99% atom D
Solubility	Slightly soluble in Methanol, Water
Appearance	White Solid
Storage	Store at 2-8°C