(2R,4R,5R,7S)-Aliskiren-d6 Fumarate (2:1)

Analyte Name

(2R,4R,5R,7S)-Aliskiren-d6 Fumarate (2:1)

Molecular Formula

C64H98D12N6O16

Molecular Weight

1231.68

Accurate Mass

1230.87

SMILES

N[C@@H]([C@H](O)C[C@H](C(C)C)C(NCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(N)=O)=O)C[C@@H](C(C)C)CC1=CC(OCCCOC)=C(OC)C=C1.OC(/C=C/C(O)=O)=O.N[C@@H]([C@H](O)C[C@H](C(C)C)C(NCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(N)=O)=O)C[C@@H](C(C)C)CC2=CC(OCCCOC)=C(OC)C=C2

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/i2*5D3,6D3;

IUPAC

(2R,4R,5R,7S)-5-amino-N-(2-carbamoyl-2-(methyl-d3)propyl-3,3,3-d3)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide hemifumarate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat