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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H26N8O4
Molecular Weight	502.5251
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 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

Structure Search

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(=N3)C(O)=O)C(=O)N2C)N5CCC[C@@H](N)C5

InChI

InChIKey=RGTNITURKUFCGN-OAHLLOKOSA-N

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

HIDE SMILES / InChI

Approval Year

Name

Type

Language

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

Systematic Name

English

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)-

Systematic Name

English

LINAGLIPTIN METABOLITE M503(1)

Common Name

English

Code System Code Type Description

CAS

1807608-08-7

Created by admin on Sat Dec 16 14:48:33 GMT 2023 , Edited by admin on Sat Dec 16 14:48:33 GMT 2023

PRIMARY

FDA UNII

24KFS7IE11

Created by admin on Sat Dec 16 14:48:33 GMT 2023 , Edited by admin on Sat Dec 16 14:48:33 GMT 2023

PRIMARY

PUBCHEM

138319987

Created by admin on Sat Dec 16 14:48:33 GMT 2023 , Edited by admin on Sat Dec 16 14:48:33 GMT 2023

PRIMARY

PARENT (METABOLITE)


					3X29ZEJ4R2

LINAGLIPTIN

SUBSTANCE RECORD


					24KFS7IE11

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