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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22FNO2
Molecular Weight 327.3926
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WMS-2539

SMILES

[H][C@@]1(COC(O1)(C2=CC=CC=C2)C3=CC=CC=C3)[C@]4([H])C[C@@H](F)CCN4

InChI

InChIKey=OLGOYYOHTNZCEO-GBESFXJTSA-N
InChI=1S/C20H22FNO2/c21-17-11-12-22-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22H,11-14H2/t17-,18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H22FNO2
Molecular Weight 327.3926
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:23:28 GMT 2023
Edited
by admin
on Sat Dec 16 19:23:28 GMT 2023
Record UNII
G922A8S2QV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WMS-2539
Common Name English
Piperidine, 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoro-, (2S,4S)-
Systematic Name English
(2S,4S)-2-[(4S)-2,2-Diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine
Common Name English
Code System Code Type Description
WIKIPEDIA
WMS-2539
Created by admin on Sat Dec 16 19:23:28 GMT 2023 , Edited by admin on Sat Dec 16 19:23:28 GMT 2023
PRIMARY
FDA UNII
G922A8S2QV
Created by admin on Sat Dec 16 19:23:28 GMT 2023 , Edited by admin on Sat Dec 16 19:23:28 GMT 2023
PRIMARY
PUBCHEM
52941919
Created by admin on Sat Dec 16 19:23:28 GMT 2023 , Edited by admin on Sat Dec 16 19:23:28 GMT 2023
PRIMARY
CAS
1257844-26-0
Created by admin on Sat Dec 16 19:23:28 GMT 2023 , Edited by admin on Sat Dec 16 19:23:28 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR