Analyte Name

3'-O-Desmethyl Aliskiren Hydrochloride

Molecular Formula

C29 H51 N3 O6 . H Cl

Molecular Weight

574.193

Accurate Mass

573.354

SMILES

Cl.COc1ccc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)C(C)C)cc1OCCCO

InChI

InChI=1S/C29H51N3O6.ClH/c1-18(2)21(13-20-9-10-25(37-7)26(14-20)38-12-8-11-33)15-23(30)24(34)16-22(19(3)4)27(35)32-17-29(5,6)28(31)36;/h9-10,14,18-19,21-24,33-34H,8,11-13,15-17,30H2,1-7H3,(H2,31,36)(H,32,35);1H/t21-,22-,23-,24-;/m0./s1

IUPAC

(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[3-(3-hydroxypropoxy)-4-methoxyphenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat