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

Molecular Formula	C25H26N8O4
Molecular Weight	502.5251
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 01:18:58 GMT 2025` Edited by `admin` on `Wed Apr 02 01:18:58 GMT 2025`
Record UNII	24KFS7IE11
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LINAGLIPTIN METABOLITE M503(1)

Preferred Name

English

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

Code System Code Type Description

CAS

1807608-08-7

Created by admin on Wed Apr 02 01:18:58 GMT 2025 , Edited by admin on Wed Apr 02 01:18:58 GMT 2025

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FDA UNII

24KFS7IE11

Created by admin on Wed Apr 02 01:18:58 GMT 2025 , Edited by admin on Wed Apr 02 01:18:58 GMT 2025

PRIMARY

PUBCHEM

138319987

Created by admin on Wed Apr 02 01:18:58 GMT 2025 , Edited by admin on Wed Apr 02 01:18:58 GMT 2025

PRIMARY

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