Ritonavir-13C3

Analyte Name

Ritonavir 4,5,methyl-methylthiazolyl-13C3

CAS Number

1217673-23-8

Molecular Formula

13C3 C34 H48 N6 O5 S2

Molecular Weight

723.92

Accurate Mass

723.3228

SMILES

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[13CH2][13c]3[13cH]ncs3)Cc4ccccc4

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/i19+1,21+1,30+1

IUPAC

(4,5-^{13}C_{2})thiazol-5-yl(1^{13}C)methyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate

Unlabelled CAS Number

155213-67-5

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Ritonavir

Purity

>95% (HPLC)