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Details

Stereochemistry ACHIRAL
Molecular Formula C15H11F3O3
Molecular Weight 296.2412
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LGE-899

SMILES

CC1=C(C=CC=C1C(O)=O)C2=CC=C(OC(F)(F)F)C=C2

InChI

InChIKey=LNRROOUNLXDADK-UHFFFAOYSA-N
InChI=1S/C15H11F3O3/c1-9-12(3-2-4-13(9)14(19)20)10-5-7-11(8-6-10)21-15(16,17)18/h2-8H,1H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C15H11F3O3
Molecular Weight 296.2412
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:26:33 GMT 2023
Edited
by admin
on Sat Dec 16 10:26:33 GMT 2023
Record UNII
7K9I13FZ55
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LGE-899
Common Name English
(1,1'-BIPHENYL)-3-CARBOXYLIC ACID, 2-METHYL-4'-(TRIFLUOROMETHOXY)-
Systematic Name English
SONIDEGIB METABOLITE M48
Common Name English
(2-METHYL-3-(4-TRIFLUOROMETHOXYPHENYL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
53228253
Created by admin on Sat Dec 16 10:26:33 GMT 2023 , Edited by admin on Sat Dec 16 10:26:33 GMT 2023
PRIMARY
CAS
1221722-10-6
Created by admin on Sat Dec 16 10:26:33 GMT 2023 , Edited by admin on Sat Dec 16 10:26:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID10691786
Created by admin on Sat Dec 16 10:26:33 GMT 2023 , Edited by admin on Sat Dec 16 10:26:33 GMT 2023
PRIMARY
FDA UNII
7K9I13FZ55
Created by admin on Sat Dec 16 10:26:33 GMT 2023 , Edited by admin on Sat Dec 16 10:26:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
PLASMA