3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-8-((3S)-3-HYDROXY-1-PIPERIDINYL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-1H-PURINE-2,6-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H27N7O4
Molecular Weight	489.5264
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-8-((3S)-3-HYDROXY-1-PIPERIDINYL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-1H-PURINE-2,6-DIONE

Structure Search

SMILES

CN1C2=C(N(CC#CCO)C(=N2)N3CCC[C@H](O)C3)C(=O)N(CC4=NC5=CC=CC=C5C(C)=N4)C1=O

InChI

InChIKey=DGVYUAILSQZNGN-KRWDZBQOSA-N

InChI=1S/C25H27N7O4/c1-16-18-9-3-4-10-19(18)27-20(26-16)15-32-23(35)21-22(29(2)25(32)36)28-24(31(21)12-5-6-13-33)30-11-7-8-17(34)14-30/h3-4,9-10,17,33-34H,7-8,11-15H2,1-2H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H27N7O4
Molecular Weight	489.5264
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 14:28:14 UTC 2023` Edited by `admin` on `Sat Dec 16 14:28:14 UTC 2023`
Record UNII	E443NQ9ZNX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-8-((3S)-3-HYDROXY-1-PIPERIDINYL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-1H-PURINE-2,6-DIONE

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-8-((3S)-3-HYDROXY-1-PIPERIDINYL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-

Systematic Name

English

LINAGLIPTIN METABOLITE M490(1)

Common Name

English

Code System Code Type Description

CAS

1297273-96-1

Created by admin on Sat Dec 16 14:28:14 UTC 2023 , Edited by admin on Sat Dec 16 14:28:14 UTC 2023

PRIMARY

FDA UNII

E443NQ9ZNX

Created by admin on Sat Dec 16 14:28:14 UTC 2023 , Edited by admin on Sat Dec 16 14:28:14 UTC 2023

PRIMARY

PUBCHEM

138319972

Created by admin on Sat Dec 16 14:28:14 UTC 2023 , Edited by admin on Sat Dec 16 14:28:14 UTC 2023

PRIMARY

Related Record Type Details


					3X29ZEJ4R2

LINAGLIPTIN

PARENT -> METABOLITE

Interaction Type:

MINOR

Amount: