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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 of N-ACETYL ALOGLIPTIN

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
  • Download
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
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