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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 M2 Metabolite

SMILES

OCC1=CN=CC=C1CN2C[C@H](CC2=O)C3=CC(F)=C(F)C(F)=C3

InChI

InChIKey=SHDUBWPURAQIEM-LBPRGKRZSA-N
InChI=1S/C17H15F3N2O2/c18-14-3-11(4-15(19)17(14)20)12-5-16(24)22(8-12)7-10-1-2-21-6-13(10)9-23/h1-4,6,12,23H,5,7-9H2/t12-/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 20:13:26 UTC 2023
Edited
by admin
on Sat Dec 16 20:13:26 UTC 2023
Record UNII
W8R868WJ62
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APP-311 M2 Metabolite
Common Name English
(R)-1-((3-(hydroxymethyl)pyridin-4-yl)methyl)-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
Systematic Name English
APP-311 hydroxyl metabolite
Common Name English
Code System Code Type Description
FDA UNII
W8R868WJ62
Created by admin on Sat Dec 16 20:13:26 UTC 2023 , Edited by admin on Sat Dec 16 20:13:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE