Analyte Name

Finasteride-d6 Carboxylic Acid

Molecular Formula

C23D6H28N2O4

Molecular Weight

408.56

Accurate Mass

408.2895

SMILES

[2H]C([2H])([2H])C(NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)(C(=O)O)C([2H])([2H])[2H]

InChI

InChI=1S/C23H34N2O4/c1-21(2,20(28)29)25-19(27)16-7-6-14-13-5-8-17-23(4,12-10-18(26)24-17)15(13)9-11-22(14,16)3/h10,12-17H,5-9,11H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)/t13-,14-,15-,16+,17+,22-,23+/m0/s1/i1D3,2D3

IUPAC

2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid

Unlabelled CAS Number

116285-37-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat