Analyte Name

5-Methyl-desmethylene Taladafil 4-Glucuronide-D3

Molecular Formula

C28 D3 H26 N3 O10

Molecular Weight

570.562

Accurate Mass

570.204

SMILES

[2H]C([2H])([2H])N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c5cc(C)c(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)c(O)c5)C1=O

InChI

InChI=1S/C28H29N3O10/c1-11-7-12(8-17(32)24(11)40-28-23(36)21(34)22(35)25(41-28)27(38)39)20-19-14(13-5-3-4-6-15(13)29-19)9-16-26(37)30(2)10-18(33)31(16)20/h3-8,16,20-23,25,28-29,32,34-36H,9-10H2,1-2H3,(H,38,39)/t16-,20-,21+,22+,23-,25+,28-/m1/s1/i2D3

IUPAC

(2S,3S,4S,5R,6S)-6-[4-[(2R,8R)-4,7-dioxo-6-(trideuteriomethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-2-yl]-2-hydroxy-6-methylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

171489-03-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat