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Aliskiren-[d6] Hydrochloride

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General Information
Catalog: BLP-012671
CAS: 1246815-96-2
Molecular Formula: C30H48D6ClN3O6
Molecular Weight: 594.26

Chemical Structure

Description	An orally active, labelled synthetic nonpeptide renin inhibitor. Antihypertensive.
Synonyms	Aliskiren-d6 Hydrochloride
IUPAC Name	(2S,4S,5S,7S)-5-amino-N-[2-carbamoyl-3,3,3-trideuterio-2-(trideuteriomethyl)propyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride
Related CAS	173399-03-6 (unlabelled) 1217735-33-5 (free base)
Canonical SMILES	CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.Cl
InChI	InChI=1S/C30H53N3O6.ClH/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1H/t22-,23-,24-,25-;/m0./s1/i5D3,6D3;
InChI Key	BSJUIBZAXCXFMZ-CYLGTDGNSA-N
Melting Point	101-102°C
Purity	95% by HPLC; 95% atom D
Solubility	Soluble in Methanol, Water
Appearance	Off-white to Light Beige Solid