Structure
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Relationships |
Total Number of functionally related protein(s) :
233
Total Number of Articles : 427
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PubChem |
10096344
|
Molecular Formula |
C25H28N8O2 |
SMILES |
CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C |
InChI |
InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1 |
synonyms |
- Linagliptin
- 668270-12-0
- Ondero
- Trajenta
- Trazenta
- BI-1356-BS
- linagliptine
- Linagliptina
- BS 1356 BS
- UNII-3X29ZEJ4R2
- 3X29ZEJ4R2
- (R)-8-(3-Amino-piperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
- CHEBI:68610
- BI-1356BS
- HSDB 8204
- BI 1356 BS
- BS-1356-BS
- GLYXAMBI COMPONENT LINAGLIPTIN
- (R)-8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methylquinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
- 1H-Purine-2,6-dione, 8-((3R)-3-amino-1-piperidinyl)-7-(2-butynyl)-3,7-dihydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-
- TRIJARDY XR COMPONENT LINAGLIPTIN
- LINAGLIPTIN (MART.)
- LINAGLIPTIN [MART.]
- 8-[(3R)-3-aminopiperidin-1-yl]-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
- linagliptinum
- 8-((3R)-3-AMINOPIPERIDIN-1-YL)-7-(BUT-2-YN-1-YL)-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
- A10BH05
- LINAGLIPTIN COMPONENT OF GLYXAMBI
- JENTADUETO COMPONENT OF LINAGLIPTIN
- LINAGLIPTIN COMPONENT OF JENTADUETO
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Properties |
Property |
Value |
MW |
472.5 g/mol |
HBD |
1 |
HBA |
7 |
Rotatable Bond Count |
4 |
Exact Mass |
472.23352217 g/mol |
Monoisotopic Mass |
472.23352217 g/mol |
Heavy Atom Count |
35 |
Isotope Atom Count |
0 |
Atom Stereo Count |
1 |
Covalent Unit Count |
1 |
Complexity |
885 |
xlogp |
1.9 |
Topological Polar Surface Area |
113 |
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