For research use only. Not for therapeutic Use.
| Catalog Number | R029883 |
| CAS Number | 668273-75-4 |
| Synonyms | Linagliptin Related Compound B, N-[(3R)-1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]-carbamic Acid 1,1-Dimethylethyl Ester |
| Molecular Formula | C30H36N8O4 |
| Purity | ≥95% |
| Storage | Desiccate at 4°C |
| IUPAC Name | tert-butyl N-[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]carbamate |
| InChI | InChI=1S/C30H36N8O4/c1-7-8-16-37-24-25(34-27(37)36-15-11-12-20(17-36)32-28(40)42-30(3,4)5)35(6)29(41)38(26(24)39)18-23-31-19(2)21-13-9-10-14-22(21)33-23/h9-10,13-14,20H,11-12,15-18H2,1-6H3,(H,32,40)/t20-/m1/s1 |
| InChIKey | PQEIZFATTRGTNW-HXUWFJFHSA-N |
| SMILES | CC#CCN1C2=C(N=C1N3CCCC(C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C |
