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Linagliptin

CAS Registry Number®

668270-12-0

CAS Name

Linagliptin

Molecular Formula

C25H28N8O2

Molecular Mass

472.54

Cite this Page

Linagliptin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=668270-12-0 (retrieved 2024-11-22) (CAS RN: 668270-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    202 °C

Source(s)

Other Names and Identifiers

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

InChIKey

InChIKey=LTXREWYXXSTFRX-QGZVFWFLSA-N

SMILES

C(C#CC)N1C2=C(N=C1N3C[C@H](N)CCC3)N(C)C(=O)N(CC4=NC5=C(C(C)=N4)C=CC=C5)C2=O

Canonical SMILES

O=C1C2=C(N=C(N2CC#CC)N3CCCC(N)C3)N(C(=O)N1CC4=NC=5C=CC=CC5C(=N4)C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-[(3R)-3-amino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-
  • 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]-
  • 8-[(3R)-3-Amino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
  • BI 1356
  • ONDERO

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration