| Description |
rel-N-[(1R,3R,4R)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide-[d8] is the labelled impurity of Lopinavir, which is a selective HIV protease inhibitor used as an antiretroviral medication. |
| Synonyms |
1(2H)-Pyrimidineacetamide-α-d, N-[(1R,3R,4R)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-[1-(methyl-d3)ethyl-1,2,2,2-d4]-2-oxo-, rel-; rel-N-[(1R,3R,4R)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-[1-(methyl-d3)ethyl-1,2,2,2-d4]-2-oxo-1(2H)-pyrimidineacetamide-α-d |
| IUPAC Name |
rel-N-((2R,4R,5R)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diphenylhexan-2-yl)-3-(methyl-d3)-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide |
| Related CAS |
1902164-23-1 (unlabelled)
|
| Canonical SMILES |
O=C1NCCCN1C(C(=O)NC(CC=2C=CC=CC2)CC(O)C(NC(=O)COC=3C(=CC=CC3C)C)CC=4C=CC=CC4)C(C)C |
| InChI |
InChI=1/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34?/s2/i1D3,2D3,25D,34D |
| InChI Key |
KJHKTHWMRKYKJE-ZGGLBYEFNA-N |
| Melting Point |
>96°C (dec.) |
| Purity |
98% by CP; 98% atom D |
| Solubility |
Soluble in Chloroform (Slightly), Methanol (Slightly) |
| Appearance |
Off-white to Pale Beige Solid |
| Storage |
Store at -20 °C |
![rel-N-[(1R,3R,4R)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide-[d8]](https://resource.bocsci.com/structure/1322625-54-6.gif)
