Sacubitril-d4

Analyte Name

Sacubitril succinate-d4

CAS Number

1884269-07-1

Molecular Formula

C24 2H4 H25 N O5

Molecular Weight

415.52

Accurate Mass

415.2297

SMILES

[2H]C([2H])(C(=O)O)C([2H])([2H])C(=O)N[C@@H](C[C@@H](C)C(=O)OCC)Cc1ccc(cc1)c2ccccc2

InChI

InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m1/s1/i13D2,14D2

IUPAC

2,2,3,3-tetradeuterio-4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid

Alternate CAS Number

149709-62-6

Unlabelled CAS Number

1884447-69-1

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Sacubitril

Purity

>95% (HPLC)