Analyte Name

Ranolazine 2,3,4-Tri-O-isobutyryl-beta-D-Glucuronide Methyl Ester (mixture of diastereomers)

Molecular Formula

C43H61N3O13

Molecular Weight

827.96

Accurate Mass

827.42

SMILES

O=C(NC1=C(C)C=CC=C1C)CN(CC2)CCN2CC(O[C@@H]3O[C@H](C(OC)=O)[C@@H](OC(C(C)C)=O)[C@H](OC(C(C)C)=O)[C@H]3OC(C(C)C)=O)COC4=CC=CC=C4OC

InChI

InChI=1S/C43H61N3O13/c1-25(2)39(48)56-35-36(57-40(49)26(3)4)38(58-41(50)27(5)6)43(59-37(35)42(51)53-10)55-30(24-54-32-17-12-11-16-31(32)52-9)22-45-18-20-46(21-19-45)23-33(47)44-34-28(7)14-13-15-29(34)8/h11-17,25-27,30,35-38,43H,18-24H2,1-10H3,(H,44,47)/t30?,35-,36-,37?,38+,43+/m0/s1

IUPAC

(2R,3R,4S,5S,6S)-2-((1-(4-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)piperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-yl)oxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2-methylpropanoate)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat