Nelfinavir-d3

Analyte Name

Nelfinavir methyl-d3

CAS Number

1217629-70-3

Molecular Formula

C32 D3 H42 N3 O4 S

Molecular Weight

570.80

Accurate Mass

570.3319

SMILES

[2H]C([2H])([2H])c1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C

InChI

InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1/i1D3

IUPAC

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[[3-hydroxy-2-(trideuteriomethyl)benzoyl]amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

Unlabelled CAS Number

159989-64-7

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Nelfinavir Mesylate; Nelfinavir

Purity

>95% (HPLC)