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Chemical structure of Aliskiren D6 Hydrochloride

GC35285

Aliskiren D6 Hydrochloride

Also known as (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

Aliskiren D6 Hydrochloride (CGP 60536 D6 Hydrochloride) is is deuterium labeled Aliskiren, which is a direct renin inhibitor with IC50 of 1·5 nM

ChemicalCAS1246815-96-2MW594.26FormulaC30H48D6ClN3O6
CAS number
1246815-96-2
Molecular weight
594.26
Formula
C30H48D6ClN3O6
Solubility
Soluble in DMSO
InChIKey
BSJUIBZAXCXFMZ-CYLGTDGNSA-N
Catalogue number
GC35285
Brand
GLPBIO
Computed properties PubChem CID 57370125 · TPSA 146 Ų · H-bond donors 5 · H-bond acceptors 7
TPSA
146 Ų
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
19
Heavy atoms
40

SMILES [2H]C([2H])([2H])C(CNC(=O)[C@@H](C[C@@H]([C@H](C[C@H](CC1=CC(=C(C=C1)OC)OCCCOC)C(C)C)N)O)C(C)C)(C(=O)N)C([2H])([2H])[2H].Cl

Computed descriptors from PubChem (CID 57370125), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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