Analyte Name

6-Desamino 6-Chloro Etravirine-13C3

CAS Number

1246818-40-5

Molecular Formula

C1713C3H13BrClN5O

Molecular Weight

457.69

Accurate Mass

456.0093

SMILES

Cc1cc(cc(C)c1O[13c]2nc(Nc3ccc(cc3)C#N)n[13c](Cl)[13c]2Br)C#N

InChI

InChI=1S/C20H13BrClN5O/c1-11-7-14(10-24)8-12(2)17(11)28-19-16(21)18(22)26-20(27-19)25-15-5-3-13(9-23)4-6-15/h3-8H,1-2H3,(H,25,26,27)/i16+1,18+1,19+1

IUPAC

4-[5-bromo-6-chloro-2-(4-cyanoanilino)(4,5,6-^{13}C_{3})pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile

Unlabelled CAS Number

269055-76-7

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat