Analyte Name

6-Methyl-desmethylene Taladafil-D3

Molecular Formula

C22 D3 H18 N3 O4

Molecular Weight

394.438

Accurate Mass

394.172

SMILES

[2H]C([2H])([2H])N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c5cc(O)c(O)cc5C)C1=O

InChI

InChI=1S/C22H21N3O4/c1-11-7-17(26)18(27)9-13(11)21-20-14(12-5-3-4-6-15(12)23-20)8-16-22(29)24(2)10-19(28)25(16)21/h3-7,9,16,21,23,26-27H,8,10H2,1-2H3/t16-,21-/m1/s1/i2D3

IUPAC

(2R,8R)-2-(4,5-dihydroxy-2-methylphenyl)-6-(trideuteriomethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Unlabelled CAS Number

171489-03-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat