Catalog Number |
ACM668270120 |
CAS |
668270-12-0 |
Structure |
|
IUPAC Name |
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione |
Synonyms |
Trajenta; BI-1356-BS; 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione; Ondero; BI-1356; Linagliptin; Tradjenta; |
Molecular Weight |
472.54 |
Molecular Formula |
C25H28N8O2 |
Canonical SMILES |
CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C |
InChI Key |
LTXREWYXXSTFRX-QGZVFWFLSA-N |
Boiling Point |
661.189ºC at 760 mmHg |
Melting Point |
202ºC |
Flash Point |
353.675ºC |
Purity |
95%+ |
Density |
1.39 |
Appearance |
Solid |
Storage |
Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month. |
Exact Mass |
472.23400 |