(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-4-(N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutyl-d9-sulfamoyl)phenylcarbamate (Darunavir-d9 Impurity)

Analyte Name

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-4-(N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutyl-d9-sulfamoyl)phenylcarbamate

Molecular Formula

C27H28D9N3O7S

Molecular Weight

556.72

Accurate Mass

556.29

SMILES

O=C(O[C@@H]1[C@@](CCO2)([H])[C@@]2([H])OC1)NC(C=C3)=CC=C3S(N(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C[C@@H](O)[C@@H](N)CC4=CC=CC=C4)(=O)=O

InChI

InChI=1S/C27H37N3O7S/c1-18(2)15-30(16-24(31)23(28)14-19-6-4-3-5-7-19)38(33,34)21-10-8-20(9-11-21)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1/i1D3,2D3,15D2,18D

IUPAC

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl (4-(N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-(2-(methyl-d3)propyl-1,1,2,3,3,3-d6)sulfamoyl)phenyl)carbamate

Unlabelled CAS Number

1546919-01-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat