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Details

Stereochemistry ACHIRAL
Molecular Formula C22H21FO2
Molecular Weight 336.3993
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of K-80003

SMILES

CC(C)C1=CC=C(\C=C2\C(C)=C(CC(O)=O)C3=C2C=CC(F)=C3)C=C1

InChI

InChIKey=QCXBVGNDRYQVJO-GRSHGNNSSA-N
InChI=1S/C22H21FO2/c1-13(2)16-6-4-15(5-7-16)10-19-14(3)20(12-22(24)25)21-11-17(23)8-9-18(19)21/h4-11,13H,12H2,1-3H3,(H,24,25)/b19-10-

HIDE SMILES / InChI
Molecular Formula C22H21FO2
Molecular Weight 336.3993
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Unknown
149124
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
1273.28 μg × min/mL
OTHER
https://core.ac.uk/reader/41433462
5 mg/kg single, intravenous
dose: 5 mg/kg
route of administration: Intravenous
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
4046.65 μg × min/mL
OTHER
https://core.ac.uk/reader/41433462
10 mg/kg single, intravenous
dose: 10 mg/kg
route of administration: Intravenous
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
9354.97 μg × min/mL
OTHER
https://core.ac.uk/reader/41433462
20 mg/kg single, intravenous
dose: 20 mg/kg
route of administration: Intravenous
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
6230 μg × min/mL
OTHER
https://core.ac.uk/reader/41433462
20 mg/kg single, oral
dose: 20 mg/kg
route of administration: Oral
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
68.11 min
OTHER
https://core.ac.uk/reader/41433462
5 mg/kg single, intravenous
dose: 5 mg/kg
route of administration: Intravenous
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
67.99 min
OTHER
https://core.ac.uk/reader/41433462
10 mg/kg single, intravenous
dose: 10 mg/kg
route of administration: Intravenous
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
68.43 min
OTHER
https://core.ac.uk/reader/41433462
20 mg/kg single, intravenous
dose: 20 mg/kg
route of administration: Intravenous
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
107.9 min
OTHER
https://core.ac.uk/reader/41433462
20 mg/kg single, oral
dose: 20 mg/kg
route of administration: Oral
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
12.85%
OTHER
https://core.ac.uk/reader/41433462
5 mg/kg single, intravenous
dose: 5 mg/kg
route of administration: Intravenous
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
12.85%
OTHER
https://core.ac.uk/reader/41433462
10 mg/kg single, intravenous
dose: 10 mg/kg
route of administration: Intravenous
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
12.85%
OTHER
https://core.ac.uk/reader/41433462
20 mg/kg single, intravenous
dose: 20 mg/kg
route of administration: Intravenous
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
12.85%
OTHER
https://core.ac.uk/reader/41433462
20 mg/kg single, oral
dose: 20 mg/kg
route of administration: Oral
experiment type: SINGLE
co-administered:
K-80003 plasma
Rattus norvegicus
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
Substance Class Chemical
Created
by admin
on Tue Apr 01 20:31:53 GMT 2025
Edited
by admin
on Tue Apr 01 20:31:53 GMT 2025
Record UNII
4S7931G4PP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TX-803
Preferred Name English
K-80003
Common Name English
1H-INDENE-3-ACETIC ACID, 5-FLUORO-2-METHYL-1-((4-(1-METHYLETHYL)PHENYL)METHYLENE)-, (1Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
4S7931G4PP
Created by admin on Tue Apr 01 20:31:53 GMT 2025 , Edited by admin on Tue Apr 01 20:31:53 GMT 2025
PRIMARY
CHEBI
59660
Created by admin on Tue Apr 01 20:31:53 GMT 2025 , Edited by admin on Tue Apr 01 20:31:53 GMT 2025
PRIMARY
PUBCHEM
46224594
Created by admin on Tue Apr 01 20:31:53 GMT 2025 , Edited by admin on Tue Apr 01 20:31:53 GMT 2025
PRIMARY
CAS
1292821-90-9
Created by admin on Tue Apr 01 20:31:53 GMT 2025 , Edited by admin on Tue Apr 01 20:31:53 GMT 2025
PRIMARY
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