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Details

Stereochemistry RACEMIC
Molecular Formula C26H33F3N2O2
Molecular Weight 462.5476
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FRABUPROFEN

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChIKey=ROZHWGHNJMGUJH-UHFFFAOYSA-N
InChI=1S/C26H33F3N2O2/c1-19(2)17-21-7-9-22(10-8-21)20(3)25(32)33-16-15-30-11-13-31(14-12-30)24-6-4-5-23(18-24)26(27,28)29/h4-10,18-20H,11-17H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C26H33F3N2O2
Molecular Weight 462.5476
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 Fri Dec 15 16:33:30 UTC 2023
Edited
by admin
on Fri Dec 15 16:33:30 UTC 2023
Record UNII
K0T69WUD4Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FRABUPROFEN
INN  
INN  
Official Name English
frabuprofen [INN]
Common Name English
2-(4-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)-1-PIPERAZINYL)ETHYL (±)-P-ISOBUTYLHYDRATROPATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
Code System Code Type Description
INN
5490
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
EVMPD
SUB07812MIG
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID30868958
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
CAS
86696-88-0
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
FDA UNII
K0T69WUD4Z
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
SMS_ID
100000080446
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
NCI_THESAURUS
C65768
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
PUBCHEM
204091
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105077
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY