8-((3S)-3-AMINO-4-OXO-1-PIPERIDYL)-7-BUT-2-YNYL-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)PURINE-2,6-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H26N8O3
Molecular Weight	486.5257
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-((3S)-3-AMINO-4-OXO-1-PIPERIDYL)-7-BUT-2-YNYL-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)PURINE-2,6-DIONE

Structure Search

SMILES

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

InChI

InChIKey=FDZXFXDPHQLSSL-KRWDZBQOSA-N

InChI=1S/C25H26N8O3/c1-4-5-11-32-21-22(29-24(32)31-12-10-19(34)17(26)13-31)30(3)25(36)33(23(21)35)14-20-27-15(2)16-8-6-7-9-18(16)28-20/h6-9,17H,10-14,26H2,1-3H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H26N8O3
Molecular Weight	486.5257
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 `Sat Dec 16 14:48:34 UTC 2023` Edited by `admin` on `Sat Dec 16 14:48:34 UTC 2023`
Record UNII	N52MFQ770Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8-((3S)-3-AMINO-4-OXO-1-PIPERIDYL)-7-BUT-2-YNYL-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)PURINE-2,6-DIONE

Systematic Name

English

LINAGLIPTIN METABOLITE M487(1)

Common Name

English

Code System Code Type Description

PUBCHEM

138320018

Created by admin on Sat Dec 16 14:48:34 UTC 2023 , Edited by admin on Sat Dec 16 14:48:34 UTC 2023

PRIMARY

FDA UNII

N52MFQ770Z

Created by admin on Sat Dec 16 14:48:34 UTC 2023 , Edited by admin on Sat Dec 16 14:48:34 UTC 2023

PRIMARY

Related Record Type Details


					3X29ZEJ4R2

LINAGLIPTIN

PARENT -> METABOLITE

Interaction Type:

MINOR