5-((7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)AMINO)-2-HYDROXYPENTANOIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H27N7O5
Molecular Weight	505.5258
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-((7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)AMINO)-2-HYDROXYPENTANOIC ACID

Structure Search

SMILES

CC#CCN1C(NCCCC(O)C(O)=O)=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(C)=N3)C(=O)N2C

InChI

InChIKey=XGEHVXIVPMHZNE-UHFFFAOYSA-N

InChI=1S/C25H27N7O5/c1-4-5-13-31-20-21(29-24(31)26-12-8-11-18(33)23(35)36)30(3)25(37)32(22(20)34)14-19-27-15(2)16-9-6-7-10-17(16)28-19/h6-7,9-10,18,33H,8,11-14H2,1-3H3,(H,26,29)(H,35,36)

HIDE SMILES / InChI

Molecular Formula	C25H27N7O5
Molecular Weight	505.5258
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:41:53 UTC 2023` Edited by `admin` on `Sat Dec 16 14:41:53 UTC 2023`
Record UNII	3K1ZY7PE1W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-((7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)AMINO)-2-HYDROXYPENTANOIC ACID

Systematic Name

English

PENTANOIC ACID, 5-((7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)AMINO)-2-HYDROXY-

Systematic Name

English

LINAGLIPTIN METABOLITE M506(1)

Common Name

English

Code System Code Type Description

PUBCHEM

138756717

Created by admin on Sat Dec 16 14:41:53 UTC 2023 , Edited by admin on Sat Dec 16 14:41:53 UTC 2023

PRIMARY

FDA UNII

3K1ZY7PE1W

Created by admin on Sat Dec 16 14:41:53 UTC 2023 , Edited by admin on Sat Dec 16 14:41:53 UTC 2023

PRIMARY

CAS

1807898-15-2

Created by admin on Sat Dec 16 14:41:53 UTC 2023 , Edited by admin on Sat Dec 16 14:41:53 UTC 2023

PRIMARY

Related Record Type Details


					3X29ZEJ4R2

LINAGLIPTIN

PARENT -> METABOLITE

Interaction Type:

MINOR