Analyte Name

N-Demethyl N-Acetyl Alogliptin-2,2,2-trifluoroacetate

CAS Number

2882929-92-0

Molecular Formula

C21H22F3N5O5

Molecular Weight

481.43

Accurate Mass

481.16

SMILES

C(C(O)=O)(F)(F)F.C(N1C(=CC(=O)N(C(C)=O)C1=O)N2C[C@H](N)CCC2)C3=C(C#N)C=CC=C3

InChI

InChI=1S/C19H21N5O3.C2HF3O2/c1-13(25)24-18(26)9-17(22-8-4-7-16(21)12-22)23(19(24)27)11-15-6-3-2-5-14(15)10-20;3-2(4,5)1(6)7/h2-3,5-6,9,16H,4,7-8,11-12,21H2,1H3;(H,6,7)/t16-;/m1./s1

IUPAC

(R)-2-((3-acetyl-6-(3-aminopiperidin-1-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile 2,2,2-trifluoroacetate

Alternate CAS Number

2882929-91-9 (free base)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat