Cerivastatin-D3, Sodium Salt

Analyte Name

Cerivastatin-D3, Sodium Salt

CAS Number

916314-45-9

Molecular Formula

C26 D3 H30 F N Na O5

Molecular Weight

484.551

Accurate Mass

484.243

SMILES

[2H]C([2H])([2H])OCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(=O)O[Na])c1c2ccc(F)cc2)C(C)C

InChI

InChI=1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32);/q;+1/p-1/b11-10+;/t19-,20-;/m1./s1/i5D3;

IUPAC

[(E,3R,5S)-7-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(trideuteriomethoxymethyl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoyl]oxysodium

Unlabelled CAS Number

143201-11-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat