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Details

Stereochemistry RACEMIC
Molecular Formula C20H19F6NO
Molecular Weight 403.3614
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-733060, (±)-

SMILES

[H][C@]1(NCCC[C@@H]1OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChIKey=FCDRFVCGMLUYPG-ROUUACIJSA-N
InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H19F6NO
Molecular Weight 403.3614
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.87 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:14:32 GMT 2023
Edited
by admin
on Sat Dec 16 19:14:32 GMT 2023
Record UNII
62GFZ49F3X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-733060, (±)-
Common Name English
(±)-L-733060 Free base
Common Name English
Piperidine, 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-, cis-(±)-
Systematic Name English
rel-(2R,3R)-3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
Systematic Name English
Piperidine, 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-, (2R,3R)-rel-
Systematic Name English
Code System Code Type Description
FDA UNII
62GFZ49F3X
Created by admin on Sat Dec 16 19:14:33 GMT 2023 , Edited by admin on Sat Dec 16 19:14:33 GMT 2023
PRIMARY
PUBCHEM
132846
Created by admin on Sat Dec 16 19:14:33 GMT 2023 , Edited by admin on Sat Dec 16 19:14:33 GMT 2023
PRIMARY
CAS
155764-99-1
Created by admin on Sat Dec 16 19:14:33 GMT 2023 , Edited by admin on Sat Dec 16 19:14:33 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE