Voriconazole-d3 (1R)-(-)-10-Camphorsulfonic Acid (Mixture of Diastereomers)

Analyte Name

Voriconazole-d3 (1R)-(-)-10-Camphorsulfonic Acid (Mixture of Diastereomers)

Molecular Formula

C₁₆H₁₁D₃F₃N₅O • C₁₀H₁₆O₄S

Molecular Weight

584.63

Accurate Mass

584.21

SMILES

FC1=CN=CN=C1C(C(C2=C(F)C=C(F)C=C2)(O)CN3N=CN=C3)C([2H])([2H])[2H].O=C4[C@@]5(CS(=O)(O)=O)CC[C@@](C5(C)C)([H])C4

InChI

InChI=1S/C16H14F3N5O.C10H16O4S/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-5,7-10,25H,6H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t;7-,10-/m.0/s1/i1D3;

IUPAC

2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-4,4,4-d3-2-ol ((1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate

Unlabelled CAS Number

1289559-68-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat