U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26F3N3O3
Molecular Weight 437.4553
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KDM-3289

SMILES

C[C@H](CC1=CC(C(N)=O)=C2NCCC2=C1)NCCOC3=CC=CC=C3OCC(F)(F)F

InChI

InChIKey=YEMPGANJNSGFHQ-CQSZACIVSA-N
InChI=1S/C22H26F3N3O3/c1-14(10-15-11-16-6-7-28-20(16)17(12-15)21(26)29)27-8-9-30-18-4-2-3-5-19(18)31-13-22(23,24)25/h2-5,11-12,14,27-28H,6-10,13H2,1H3,(H2,26,29)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H26F3N3O3
Molecular Weight 437.4553
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:48:16 GMT 2023
Edited
by admin
on Sat Dec 16 10:48:16 GMT 2023
Record UNII
TTL076P23E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KDM-3289
Common Name English
(R)-5-(2-((2-(2-(2,2,2-TRIFLUOROETHOXY)PHENOXY)ETHYL)AMINO)PROPYL)INDOLINE-7-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
91800111
Created by admin on Sat Dec 16 10:48:16 GMT 2023 , Edited by admin on Sat Dec 16 10:48:16 GMT 2023
PRIMARY
FDA UNII
TTL076P23E
Created by admin on Sat Dec 16 10:48:16 GMT 2023 , Edited by admin on Sat Dec 16 10:48:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL; PLASMA; URINE