Analyte Name

Aliskiren-d6 hydrochloride

CAS Number

1246815-96-2

Molecular Formula

C30 D6 H47 N3 O6 . H Cl

Molecular Weight

594.26

Accurate Mass

583.4078

SMILES

Cl.[2H]C([2H])([2H])C(CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C)(C(=O)N)C([2H])([2H])[2H]

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;

IUPAC

(2S,4S,5S,7S)-5-amino-N-[2-carbamoyl-3,3,3-trideuterio-2-(trideuteriomethyl)propyl]-4-hydroxy-2-isopropyl-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-nonanamide;hydrochloride

Alternate CAS Number

Free base: 1217735-33-5

Unlabelled CAS Number

173399-03-6

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat