Aliskiren-d6 Hemifumarate

• CAT Number: R068025
• Molecular Formula: C30H47D6N3O6.C30H47D6N3O6.C4H4O4
• Molecular Weight: 1231.66
• Purity: ≥95%
• Storage: RT
• Related CAS: 173334-58-2 (unlabeled)
• IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methylnonanamide;(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-8-methyl-2-propan-2-yl-7-[[4-(trideuteriomethoxy)-3-[3-(trideuteriomethoxy)propoxy]phenyl]methyl]nonanamide;(E)-but-2-enedioic acid
• InChI: InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(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;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1/i7D3,8D3;3D3,4D3
• InChIKey: KLRSDBSKUSSCGU-PFGUTONBSA-N
• SMILES: [2H]C([2H])([2H])C([C@H](C[C@@H]([C@H](C[C@H](CC1=CC(=C(C=C1)OC)OCCCOC)C(C)C)N)O)C(=O)NCC(C)(C)C(=O)N)C([2H])([2H])[2H].[2H]C([2H])([2H])OCCCOC1=C(C=CC(=C1)C[C@@H](C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N)C(C)C)OC([2H])([2H])[2H].C(=C/C(=O)O)\C(=O)O

Aliskiren-d6 Hemifumarate is a deuterated form of aliskiren, a direct renin inhibitor used in the treatment of hypertension. The compound features six deuterium atoms, which enhance the study of its pharmacokinetics and metabolism. This isotopic labeling allows for precise tracking of aliskiren’s absorption, distribution, metabolism, and excretion in biological systems. The hemifumarate salt form aids in stabilizing the compound for research purposes. Detailed insights from such studies help optimize dosing regimens, improve therapeutic efficacy, and understand the drug’s behavior and interactions within the body.