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Substance Name: 8-((3R)-3-Amino-1-piperidinyl)-3,7-dihydro-7-(4-hydroxy-2-butyn-1-yl)-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-1H-purine-2,6-dione
RN: 1807608-59-8
UNII: K7LRO6HCA0
InChIKey: MREQTPLJIIFUIK-QGZVFWFLSA-N

Molecular Formula

  • C25-H28-N8-O3

Molecular Weight

  • 488.5416
 
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Names and Synonyms

Name of Substance

  • 8-((3R)-3-Amino-1-piperidinyl)-3,7-dihydro-7-(4-hydroxy-2-butyn-1-yl)-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-1H-purine-2,6-dione

Synonyms

  • 1H-Purine-2,6-dione, 8-((3R)-3-amino-1-piperidinyl)-3,7-dihydro-7-(4-hydroxy-2-butyn-1-yl)-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-
  • 8-((3R)-3-Amino-1-piperidinyl)-3,7-dihydro-7-(4-hydroxy-2-butyn-1-yl)-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-1H-purine-2,6-dione
  • Linagliptin metabolite m489(1)
  • UNII-K7LRO6HCA0

Registry Numbers

CAS Registry Number

  • 1807608-59-8

FDA UNII

  • K7LRO6HCA0

System Generated Number

  • 1807608598

Structure Descriptors

InChI

1S/C25H28N8O3/c1-16-18-9-3-4-10-19(18)28-20(27-16)15-33-23(35)21-22(30(2)25(33)36)29-24(32(21)12-5-6-13-34)31-11-7-8-17(26)14-31/h3-4,9-10,17,34H,7-8,11-15,26H2,1-2H3/t17-/m1/s1

InChIKey

MREQTPLJIIFUIK-QGZVFWFLSA-N

Smiles

CN1C(=O)N(Cc2nc(C)c3ccccc3n2)C(=O)c4c1nc(N5CCC[C@@H](N)C5)n4CC#CCO