Analyte Name

8-Hydroxy Aliskiren-d3 Fumarate (2:1)

Molecular Formula

C64H98D12N6O18

Molecular Weight

1263.68

Accurate Mass

1262.86

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)C(O)C1=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)C(O)C2=CC(OCCCOC)=C(OC)C=C2

InChI

InChI=1S/2C30H53N3O7.C4H4O4/c2*1-18(2)21(27(35)20-10-11-25(39-8)26(14-20)40-13-9-12-38-7)15-23(31)24(34)16-22(19(3)4)28(36)33-17-30(5,6)29(32)37;5-3(6)1-2-4(7)8/h2*10-11,14,18-19,21-24,27,34-35H,9,12-13,15-17,31H2,1-8H3,(H2,32,37)(H,33,36);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*21-,22-,23-,24-,27?;/m00./s1/i2*5D3,6D3;

IUPAC

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

Unlabelled CAS Number

1438401-04-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat