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Details

Stereochemistry RACEMIC
Molecular Formula C22H26F3NO2
Molecular Weight 393.4425
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRL-16657 FREE BASE

SMILES

CN(C)CCOC1=CC2=C(C=C1)C(CC(C)(C)O2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChIKey=FRYSRIHJRHPXIK-UHFFFAOYSA-N
InChI=1S/C22H26F3NO2/c1-21(2)14-19(15-5-7-16(8-6-15)22(23,24)25)18-10-9-17(13-20(18)28-21)27-12-11-26(3)4/h5-10,13,19H,11-12,14H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C22H26F3NO2
Molecular Weight 393.4425
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:36:13 GMT 2023
Edited
by admin
on Sat Dec 16 11:36:13 GMT 2023
Record UNII
I14G374COH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRL-16657 FREE BASE
Common Name English
BRL 16657- PARENT
Common Name English
Code System Code Type Description
PUBCHEM
42990
Created by admin on Sat Dec 16 11:36:13 GMT 2023 , Edited by admin on Sat Dec 16 11:36:13 GMT 2023
PRIMARY
CAS
147241-80-3
Created by admin on Sat Dec 16 11:36:13 GMT 2023 , Edited by admin on Sat Dec 16 11:36:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID2043957
Created by admin on Sat Dec 16 11:36:13 GMT 2023 , Edited by admin on Sat Dec 16 11:36:13 GMT 2023
PRIMARY
FDA UNII
I14G374COH
Created by admin on Sat Dec 16 11:36:13 GMT 2023 , Edited by admin on Sat Dec 16 11:36:13 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT