U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H15F3N2O2
Molecular Weight 336.3084
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APP-311 M1 Metabolite

SMILES

CC1=C[N+]([O-])=CC=C1CN2C[C@H](CC2=O)C3=CC(F)=C(F)C(F)=C3

InChI

InChIKey=MPZPYHAZGCRIMK-ZDUSSCGKSA-N
InChI=1S/C17H15F3N2O2/c1-10-7-22(24)3-2-11(10)8-21-9-13(6-16(21)23)12-4-14(18)17(20)15(19)5-12/h2-5,7,13H,6,8-9H2,1H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H15F3N2O2
Molecular Weight 336.3084
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 20:13:25 UTC 2023
Edited
by admin
on Sat Dec 16 20:13:25 UTC 2023
Record UNII
W4GAB87GB7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APP-311 M1 Metabolite
Common Name English
APP-311 N-oxide metabolite
Common Name English
(R)-3-methyl-4-((2-oxo-4-(3,4,5-trifluorophenyl)pyrrolidin-1-yl)methyl)pyridine 1-oxide
Systematic Name English
Code System Code Type Description
FDA UNII
W4GAB87GB7
Created by admin on Sat Dec 16 20:13:25 UTC 2023 , Edited by admin on Sat Dec 16 20:13:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE