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Details

Stereochemistry RACEMIC
Molecular Formula C22H26F3NO2.ClH
Molecular Weight 429.903
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRL-16657

SMILES

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

InChI

InChIKey=RHPRTHYFROQWDJ-UHFFFAOYSA-N
InChI=1S/C22H26F3NO2.ClH/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;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 08:43:46 GMT 2023
Edited
by admin
on Sat Dec 16 08:43:46 GMT 2023
Record UNII
FAZ7YM5Z5O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRL-16657
Common Name English
BRL 16657
Code English
ETHANAMINE, 2-((3,4-DIHYDRO-2,2-DIMETHYL-4-(4-(TRIFLUOROMETHYL)PHENYL)-2H-1-BENZOPYRAN-7-YL)OXY)-N,N-DIMETHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2043901
Created by admin on Sat Dec 16 08:43:46 GMT 2023 , Edited by admin on Sat Dec 16 08:43:46 GMT 2023
PRIMARY
PUBCHEM
42989
Created by admin on Sat Dec 16 08:43:46 GMT 2023 , Edited by admin on Sat Dec 16 08:43:46 GMT 2023
PRIMARY
FDA UNII
FAZ7YM5Z5O
Created by admin on Sat Dec 16 08:43:46 GMT 2023 , Edited by admin on Sat Dec 16 08:43:46 GMT 2023
PRIMARY
CAS
59257-24-8
Created by admin on Sat Dec 16 08:43:46 GMT 2023 , Edited by admin on Sat Dec 16 08:43:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE