N-ACETYL ALOGLIPTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H23N5O3
Molecular Weight	381.4291
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=N[C@]1([H])CCCN(C1)c2cc(=O)n(C)c(=O)n2Cc3ccccc3C#N)O

InChI

InChIKey=DLPUDCLWEJZQGM-QGZVFWFLSA-N

InChI=1S/C20H23N5O3/c1-14(26)22-17-8-5-9-24(13-17)18-10-19(27)23(2)20(28)25(18)12-16-7-4-3-6-15(16)11-21/h3-4,6-7,10,17H,5,8-9,12-13H2,1-2H3,(H,22,26)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H23N5O3
Molecular Weight	381.4291
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 Jun 26 14:11:26 UTC 2021` Edited by `admin` on `Sat Jun 26 14:11:26 UTC 2021`
Record UNII	U93RK9Q9H6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-ACETYL ALOGLIPTIN

Common Name

English

ACETAMIDE, N-((3R)-1-(3-((2-CYANOPHENYL)METHYL)-1,2,3,6-TETRAHYDRO-1-METHYL-2,6-DIOXO-4-PYRIMIDINYL)-3-PIPERIDINYL)-

Systematic Name

English

N-((3R)-1-(3-((2-CYANOPHENYL)METHYL)-1,2,3,6-TETRAHYDRO-1-METHYL-2,6-DIOXO-4-PYRIMIDINYL)-3-PIPERIDINYL)ACETAMIDE

Systematic Name

English

ALOGLIPTIN METABOLITE M-II

Common Name

English

N-((3R)-1-(3-((2-CYANOPHENYL)METHYL)-1-METHYL-2,6-DIOXO-PYRIMIDIN-4-YL)-3-PIPERIDYL)ACETAMIDE

Systematic Name

English

Code System Code Type Description

CAS

1108731-49-2

Created by admin on Sat Jun 26 14:11:26 UTC 2021 , Edited by admin on Sat Jun 26 14:11:26 UTC 2021

PRIMARY

PUBCHEM

138454990

Created by admin on Sat Jun 26 14:11:26 UTC 2021 , Edited by admin on Sat Jun 26 14:11:26 UTC 2021

PRIMARY

FDA UNII

U93RK9Q9H6

Created by admin on Sat Jun 26 14:11:26 UTC 2021 , Edited by admin on Sat Jun 26 14:11:26 UTC 2021

PRIMARY

Related Record Type Details


					JHC049LO86

ALOGLIPTIN

PARENT -> METABOLITE INACTIVE

Interaction Type:

MINOR