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Details

Stereochemistry ACHIRAL
Molecular Formula C20H18F3NO3
Molecular Weight 377.357
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(9-(2,2,2-TRIFLUOROETHYLCARBAMOYL)FLUOREN-9-YL)BUTANOIC ACID

SMILES

OC(=O)CCCC1(C(=O)NCC(F)(F)F)C2=CC=CC=C2C3=C1C=CC=C3

InChI

InChIKey=OMOCFKYWOGDCTG-UHFFFAOYSA-N
InChI=1S/C20H18F3NO3/c21-20(22,23)12-24-18(27)19(11-5-10-17(25)26)15-8-3-1-6-13(15)14-7-2-4-9-16(14)19/h1-4,6-9H,5,10-12H2,(H,24,27)(H,25,26)

HIDE SMILES / InChI

Molecular Formula C20H18F3NO3
Molecular Weight 377.357
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Oct 21 22:08:38 UTC 2019
Edited
by admin
on Mon Oct 21 22:08:38 UTC 2019
Record UNII
EA4GAV9AYU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(9-(2,2,2-TRIFLUOROETHYLCARBAMOYL)FLUOREN-9-YL)BUTANOIC ACID
Systematic Name English
9H-FLUORENE-9-BUTANOIC ACID, 9-(((2,2,2-TRIFLUOROETHYL)AMINO)CARBONYL)-
Systematic Name English
LOMITAPIDE METABOLITE M3
Common Name English
9-(((2,2,2-TRIFLUOROETHYL)AMINO)CARBONYL)-9H-FLUORENE-9-BUTANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
182439-11-8
Created by admin on Mon Oct 21 22:08:38 UTC 2019 , Edited by admin on Mon Oct 21 22:08:38 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
In plasma, M3 was the major metabolite that accounted for 17.3% of the plasma radioactivity. In urine, M3 was the minor metabolite that accounted for 0.34% of the dose in the 0 €“96 hours urine samples. In feces, M3 was the minor metabolite that accounted for 1.33 % of the dose in the 0 €“ 96 hours feces.
FECAL; PLASMA; URINE