Analyte Name

4-Hydroxymethyl Ambrisentan Acyl Glucuronide

Molecular Formula

C28 H30 N2 O11 . Na

Molecular Weight

592.53

Accurate Mass

592.1669

SMILES

COC([C@H](Oc1nc(C)cc(CO)n1)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O[Na])(c3ccccc3)c4ccccc4

InChI

InChI=1S/C28H30N2O11.Na/c1-15-13-18(14-31)30-27(29-15)40-23(25(37)41-26-21(34)19(32)20(33)22(39-26)24(35)36)28(38-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-13,19-23,26,31-34H,14H2,1-2H3,(H,35,36);/q;+1/p-1/t19-,20-,21+,22-,23+,26-;/m0./s1

IUPAC

[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S)-2-[4-(hydroxymethyl)-6-methyl-pyrimidin-2-yl]oxy-3-methoxy-3,3-diphenyl-propanoyl]oxy-tetrahydropyran-2-carbonyl]oxysodium

Alternate CAS Number

1106685-77-1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat