Ritonavir-d6

Analyte Name

Ritonavir thiazolyl-isopropyl-1,1,1,3,3,3-d6

CAS Number

1217720-20-1

Molecular Formula

C37 2H6 H42 N6 O5 S2

Molecular Weight

726.98

Accurate Mass

726.3504

SMILES

[2H]C([2H])([2H])C(c1nc(CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4)cs1)C([2H])([2H])[2H]

InChI

InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1/i3D3,4D3

IUPAC

1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[[2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Unlabelled CAS Number

155213-67-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Ritonavir

Purity

>95% (HPLC)