N-((3R)-1-(7-BUT-2-YNYL-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)-2,6-DIOXO-PURIN-8-YL)-2-HYDROXY-3-PIPERIDYL)ACETAMIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C27H30N8O4
Molecular Weight	530.5793
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-((3R)-1-(7-BUT-2-YNYL-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)-2,6-DIOXO-PURIN-8-YL)-2-HYDROXY-3-PIPERIDYL)ACETAMIDE

Structure Search

SMILES

CC#CCn1c2c(nc1N3CCC[C@]([H])(C3([H])O)N=C(C)O)n(C)c(=O)n(Cc4nc(C)c5ccccc5n4)c2=O

InChI

InChIKey=OFRFNAFLSCSEND-CGHJUBPDSA-N

InChI=1S/C27H30N8O4/c1-5-6-13-33-22-23(31-26(33)34-14-9-12-20(24(34)37)29-17(3)36)32(4)27(39)35(25(22)38)15-21-28-16(2)18-10-7-8-11-19(18)30-21/h7-8,10-11,20,24,37H,9,12-15H2,1-4H3,(H,29,36)/t20-,24?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H30N8O4
Molecular Weight	530.5793
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Jun 26 06:46:58 UTC 2021` Edited by `admin` on `Sat Jun 26 06:46:58 UTC 2021`
Record UNII	2VM3C2G9LA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-((3R)-1-(7-BUT-2-YNYL-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)-2,6-DIOXO-PURIN-8-YL)-2-HYDROXY-3-PIPERIDYL)ACETAMIDE

Systematic Name

English

LINAGLIPTIN METABOLITE M531(2)

Common Name

English

Code System Code Type Description

FDA UNII

2VM3C2G9LA

Created by admin on Sat Jun 26 06:46:58 UTC 2021 , Edited by admin on Sat Jun 26 06:46:58 UTC 2021

PRIMARY

Related Record Type Details


					3X29ZEJ4R2

LINAGLIPTIN

PARENT -> METABOLITE

Interaction Type:

MINOR