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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20F5NO3
Molecular Weight 393.3483
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRL-55834

SMILES

CC1(C)OC2=CC=C(C=C2[C@H]([C@@H]1O)N3CCCCC3=O)C(F)(F)C(F)(F)F

InChI

InChIKey=ZSUFQZNGDIXQAD-CABCVRRESA-N
InChI=1S/C18H20F5NO3/c1-16(2)15(26)14(24-8-4-3-5-13(24)25)11-9-10(6-7-12(11)27-16)17(19,20)18(21,22)23/h6-7,9,14-15,26H,3-5,8H2,1-2H3/t14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H20F5NO3
Molecular Weight 393.3483
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:16:04 GMT 2025
Edited
by admin
on Mon Mar 31 22:16:04 GMT 2025
Record UNII
269RJ694S2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PIPERIDINONE, 1-(3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-6-(PENTAFLUOROETHYL)-2H-1-BENZOPYRAN-4-YL)-, (3S-TRANS)-
Preferred Name English
BRL-55834
Code English
Code System Code Type Description
CAS
131899-25-7
Created by admin on Mon Mar 31 22:16:04 GMT 2025 , Edited by admin on Mon Mar 31 22:16:04 GMT 2025
PRIMARY
FDA UNII
269RJ694S2
Created by admin on Mon Mar 31 22:16:04 GMT 2025 , Edited by admin on Mon Mar 31 22:16:04 GMT 2025
PRIMARY
PUBCHEM
131442
Created by admin on Mon Mar 31 22:16:04 GMT 2025 , Edited by admin on Mon Mar 31 22:16:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID80157243
Created by admin on Mon Mar 31 22:16:04 GMT 2025 , Edited by admin on Mon Mar 31 22:16:04 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
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ACTIVE MOIETY