Analyte Name

1-(2-amino-5-phenylpyridin-3-yl)-1-methylthiourea N-Beta-D-Glucuronide Methyl Ester Triacetate

Molecular Formula

C26H30N4O9S

Molecular Weight

574.6

Accurate Mass

574.17

SMILES

S=C(N[C@@H]1O[C@H](C(OC)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)N(C)C2=CC(C3=CC=CC=C3)=CN=C2N

InChI

InChI=1S/C26H30N4O9S/c1-13(31)36-19-20(37-14(2)32)22(25(34)35-5)39-24(21(19)38-15(3)33)29-26(40)30(4)18-11-17(12-28-23(18)27)16-9-7-6-8-10-16/h6-12,19-22,24H,1-5H3,(H2,27,28)(H,29,40)/t19-,20-,21+,22-,24+/m0/s1

IUPAC

(2R,3R,4S,5S,6S)-2-(3-(2-amino-5-phenylpyridin-3-yl)-3-methylthioureido)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat