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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H8F3NO
Molecular Weight 215.1718
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APP-311 M3 Metabolite

SMILES

FC1=CC(=CC(F)=C1F)[C@@H]2CNC(=O)C2

InChI

InChIKey=BWUUWAXTSJRLLP-LURJTMIESA-N
InChI=1S/C10H8F3NO/c11-7-1-5(2-8(12)10(7)13)6-3-9(15)14-4-6/h1-2,6H,3-4H2,(H,14,15)/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H8F3NO
Molecular Weight 215.1718
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 20:09:27 UTC 2023
Edited
by admin
on Sat Dec 16 20:09:27 UTC 2023
Record UNII
LWX3C9QX9Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APP-311 M3 Metabolite
Common Name English
APP-311 desalkyl metabolite
Common Name English
(R)-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
Systematic Name English
(4R)-4-(3,4,5-Trifluorophenyl)pyrrolidin-2-one
Systematic Name English
(4R)-4-(3,4,5-Trifluorophenyl)-2-pyrrolidinone
Systematic Name English
2-Pyrrolidinone, 4-(3,4,5-trifluorophenyl)-, (4R)-
Systematic Name English
Code System Code Type Description
CAS
1651179-16-6
Created by admin on Sat Dec 16 20:09:27 UTC 2023 , Edited by admin on Sat Dec 16 20:09:27 UTC 2023
PRIMARY
PUBCHEM
97030990
Created by admin on Sat Dec 16 20:09:27 UTC 2023 , Edited by admin on Sat Dec 16 20:09:27 UTC 2023
PRIMARY
FDA UNII
LWX3C9QX9Y
Created by admin on Sat Dec 16 20:09:27 UTC 2023 , Edited by admin on Sat Dec 16 20:09:27 UTC 2023
PRIMARY
Related Record Type Details
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