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Substance Name: 2-((8-((3R)-3-Amino-1-piperidinyl)-7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purin-1-yl)methyl)-4-quinazolinecarboxylic acid
RN: 1807608-08-7
UNII: 24KFS7IE11
InChIKey: RGTNITURKUFCGN-OAHLLOKOSA-N

Molecular Formula

  • C25-H26-N8-O4

Molecular Weight

  • 502.5324
 
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Names and Synonyms

Name of Substance

  • 2-((8-((3R)-3-Amino-1-piperidinyl)-7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purin-1-yl)methyl)-4-quinazolinecarboxylic acid

Synonyms

  • 2-((8-((3R)-3-Amino-1-piperidinyl)-7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purin-1-yl)methyl)-4-quinazolinecarboxylic acid
  • 4-Quinazolinecarboxylic acid, 2-((8-((3R)-3-amino-1-piperidinyl)-7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purin-1-yl)methyl)-
  • Linagliptin metabolite m503(1)
  • UNII-24KFS7IE11

Registry Numbers

CAS Registry Number

  • 1807608-08-7

FDA UNII

  • 24KFS7IE11

System Generated Number

  • 1807608087

Structure Descriptors

InChI

InChI=1S/C25H26N8O4/c1-3-4-12-32-20-21(29-24(32)31-11-7-8-15(26)13-31)30(2)25(37)33(22(20)34)14-18-27-17-10-6-5-9-16(17)19(28-18)23(35)36/h5-6,9-10,15H,7-8,11-14,26H2,1-2H3,(H,35,36)/t15-/m1/s1

InChIKey

RGTNITURKUFCGN-OAHLLOKOSA-N

Smiles

CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C(=O)O)c4ccccc4n3)C(=O)c12)N5CCC[C@@H](N)C5