Analyte Name

Uprosertib-13C4d3

Molecular Formula

C14¹³C4H13D3Cl2F2N4O2

Molecular Weight

436.24

Accurate Mass

435.09

SMILES

ClC1=C([13C](N2[13C]([2H])([2H])[2H])=[13C]([13C]([H])=N2)Cl)C=C(C(N[C@H](CN)CC3=CC(F)=C(F)C=C3)=O)O1

InChI

InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1/i1+1D3,8+1,12+1,16+1

IUPAC

(S)-N-(1-amino-3-(3,4-difluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-(methyl-13C-d3)-1H-pyrazol-5-yl-3,4,5-13C3)furan-2-carboxamide

Unlabelled CAS Number

1047634-65-0

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat