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Substance Name: 7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-8-(3-oxo-1-piperidinyl)-1H-purine-2,6-dione
RN: 1807608-27-0
UNII: OG9YP6VJP9
InChIKey: QCBMVKOKWAMHHW-UHFFFAOYSA-N

Molecular Formula

  • C25-H25-N7-O3

Molecular Weight

  • 471.5185
 
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Names and Synonyms

Name of Substance

  • 7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-8-(3-oxo-1-piperidinyl)-1H-purine-2,6-dione

Synonyms

  • 1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-8-(3-oxo-1-piperidinyl)-
  • 7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-8-(3-oxo-1-piperidinyl)-1H-purine-2,6-dione
  • CD10604
  • CD10604BS
  • Linagliptin metabolite CD10604
  • UNII-OG9YP6VJP9

Registry Numbers

CAS Registry Number

  • 1807608-27-0

FDA UNII

  • OG9YP6VJP9

System Generated Number

  • 1807608270

Structure Descriptors

InChI

InChI=1S/C25H25N7O3/c1-4-5-13-31-21-22(28-24(31)30-12-8-9-17(33)14-30)29(3)25(35)32(23(21)34)15-20-26-16(2)18-10-6-7-11-19(18)27-20/h6-7,10-11H,8-9,12-15H2,1-3H3

InChIKey

QCBMVKOKWAMHHW-UHFFFAOYSA-N

Smiles

CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCCC(=O)C5