4-((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)BUTANOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H25N7O4
Molecular Weight	475.4998
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-((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)BUTANOIC ACID

Structure Search

SMILES

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

InChI

InChIKey=FAIWNEHMOQSJPD-UHFFFAOYSA-N

InChI=1S/C24H25N7O4/c1-4-5-13-30-20-21(28-23(30)25-12-8-11-19(32)33)29(3)24(35)31(22(20)34)14-18-26-15(2)16-9-6-7-10-17(16)27-18/h6-7,9-10H,8,11-14H2,1-3H3,(H,25,28)(H,32,33)

HIDE SMILES / InChI

Molecular Formula	C24H25N7O4
Molecular Weight	475.4998
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:48:32 GMT 2023` Edited by `admin` on `Sat Dec 16 14:48:32 GMT 2023`
Record UNII	OXY0MZO675
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-((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)BUTANOIC ACID

Systematic Name

English

LINAGLIPTIN METABOLITE M476(1)

Common Name

English

BUTANOIC ACID, 4-((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)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

138320004

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

OXY0MZO675

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

CAS

1807607-07-3

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

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LINAGLIPTIN

PARENT -> METABOLITE