U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C25H17F4N5O2
Molecular Weight 495.4284
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUXEPTINIB

SMILES

CC1=CNC(=N1)C2=C3C(=O)NCC3=C(C=C2)C4=CC=C(NC(=O)NC5=C(F)C=C(F)C=C5F)C=C4F

InChI

InChIKey=MWHHJYUHCZWSLS-UHFFFAOYSA-N
InChI=1S/C25H17F4N5O2/c1-11-9-30-23(32-11)16-5-4-14(17-10-31-24(35)21(16)17)15-3-2-13(8-18(15)27)33-25(36)34-22-19(28)6-12(26)7-20(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)

HIDE SMILES / InChI

Molecular Formula C25H17F4N5O2
Molecular Weight 495.4284
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 Tue Apr 01 23:53:20 GMT 2025
Edited
by admin
on Tue Apr 01 23:53:20 GMT 2025
Record UNII
TQ6PBX1JU0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LUXEPTINIB
USAN   INN  
Official Name English
CG'806
Preferred Name English
CG-806
Code English
LUXEPTINIB [USAN]
Common Name English
CG-026806
Code English
luxeptinib [INN]
Common Name English
CG806
Code English
CG026806
Code English
32,72,74,76-TETRAFLUORO-14-METHYL-21,23-DIHYDRO-11H-4,6-DIAZA-2(4,7)-ISOINDOLA- 1(2)-IMIDAZOLA-3(1,4),7(1)-DIBENZENAHEPTAPHANE-2,35-DIONE
Systematic Name English
UREA, N-(4-(2,3-DIHYDRO-7-(5-METHYL-1H-IMIDAZOL-2-YL)-1-OXO-1H-ISOINDOL-4-YL)-3-FLUOROPHENYL)-N'-(2,4,6-TRIFLUOROPHENYL)-
Systematic Name English
Luxeptinib [WHO-DD]
Common Name English
Code System Code Type Description
USAN
HI-96
Created by admin on Tue Apr 01 23:53:20 GMT 2025 , Edited by admin on Tue Apr 01 23:53:20 GMT 2025
PRIMARY
INN
11799
Created by admin on Tue Apr 01 23:53:20 GMT 2025 , Edited by admin on Tue Apr 01 23:53:20 GMT 2025
PRIMARY
FDA UNII
TQ6PBX1JU0
Created by admin on Tue Apr 01 23:53:20 GMT 2025 , Edited by admin on Tue Apr 01 23:53:20 GMT 2025
PRIMARY
PUBCHEM
118480924
Created by admin on Tue Apr 01 23:53:20 GMT 2025 , Edited by admin on Tue Apr 01 23:53:20 GMT 2025
PRIMARY
CAS
1616428-23-9
Created by admin on Tue Apr 01 23:53:20 GMT 2025 , Edited by admin on Tue Apr 01 23:53:20 GMT 2025
PRIMARY
SMS_ID
300000035120
Created by admin on Tue Apr 01 23:53:20 GMT 2025 , Edited by admin on Tue Apr 01 23:53:20 GMT 2025
PRIMARY
NCI_THESAURUS
C162573
Created by admin on Tue Apr 01 23:53:20 GMT 2025 , Edited by admin on Tue Apr 01 23:53:20 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY