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Details

Stereochemistry ACHIRAL
Molecular Formula C22H20F3N3O2
Molecular Weight 415.4083
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AU-413

SMILES

CC1=CC=CC=C1N2C=CC3=C2C4=CC=CC(OCC(F)(F)F)=C4N=C3NCCO

InChI

InChIKey=OXCKWCUIGSKVPX-UHFFFAOYSA-N
InChI=1S/C22H20F3N3O2/c1-14-5-2-3-7-17(14)28-11-9-16-20(28)15-6-4-8-18(30-13-22(23,24)25)19(15)27-21(16)26-10-12-29/h2-9,11,29H,10,12-13H2,1H3,(H,26,27)

HIDE SMILES / InChI

Molecular Formula C22H20F3N3O2
Molecular Weight 415.4083
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:01:35 GMT 2023
Edited
by admin
on Sat Dec 16 00:01:35 GMT 2023
Record UNII
320716O4S3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AU-413
Common Name English
ETHANOL, 2-((1-(2-METHYLPHENYL)-6-(2,2,2-TRIFLUOROETHOXY)-1H-PYRROLO(3,2-C)QUINOLIN-4-YL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
320716O4S3
Created by admin on Sat Dec 16 00:01:36 GMT 2023 , Edited by admin on Sat Dec 16 00:01:36 GMT 2023
PRIMARY
PUBCHEM
9866521
Created by admin on Sat Dec 16 00:01:36 GMT 2023 , Edited by admin on Sat Dec 16 00:01:36 GMT 2023
PRIMARY
CAS
220853-85-0
Created by admin on Sat Dec 16 00:01:36 GMT 2023 , Edited by admin on Sat Dec 16 00:01:36 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY