1-Hydroxy-1,2-dihydro Eprosartan-d3 Dimethyl Ester

Analyte Name

1-Hydroxy-1,2-dihydro Eprosartan-d3, Dimethyl ester

CAS Number

1189431-71-7

Molecular Formula

C22 H43 N5 O13

Molecular Weight

585.602

Accurate Mass

585.286

SMILES

NCC[C@@H](O)C(=O)N[C@H]1CC(N)[C@@H](O[C@@H]2OC(CN)[C@H](O)C(O)C2O)C(O)C1O[C@@H]3OC(CO)[C@H](O)C(N)C3O

InChI

InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6?,7-,8+,9?,10?,11?,12-,13-,14?,15?,16?,17?,18+,19?,21-,22-/m0/s1

IUPAC

(2R)-4-amino-N-[(1S,4R)-5-amino-2-[(2R,5R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,5R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

Unlabelled CAS Number

133040-04-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat