Analyte Name

Esaxerenone-o-glucuronide Sodium

Molecular Formula

C28H28F3N2O10S.Na

Molecular Weight

664.58

Accurate Mass

664.13

SMILES

O=C(NC1=CC=C(S(=O)(C)=O)C=C1)C2=CN(CCOC3[C@@H]([C@H]([C@@H]([C@H](O3)C(O[Na])=O)O)O)O)C(C4=C(C(F)(F)F)C=CC=C4)=C2C

InChI

InChI=1S/C28H29F3N2O10S.Na/c1-14-18(25(37)32-15-7-9-16(10-8-15)44(2,40)41)13-33(20(14)17-5-3-4-6-19(17)28(29,30)31)11-12-42-27-23(36)21(34)22(35)24(43-27)26(38)39;/h3-10,13,21-24,27,34-36H,11-12H2,1-2H3,(H,32,37)(H,38,39);/q;+1/p-1/t21-,22-,23+,24-,27?;/m0./s1

IUPAC

[(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-[3-methyl-4-[(4-methylsulfonylphenyl)carbamoyl]-2-[2-(trifluoromethyl)phenyl]pyrrol-1-yl]ethoxy]tetrahydropyran-2-carbonyl]oxysodium

Country of Origin

CANADA

Product Format

Neat