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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24F6N4O2
Molecular Weight 490.442
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (?R,??R)-N,N?-1,2-Ethanediylbis[?-amino-2,4,5-trifluorobenzenebutanamide]

SMILES

N[C@@H](CC(=O)NCCNC(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F)CC2=CC(F)=C(F)C=C2F

InChI

InChIKey=KXZDIEYEXQRASS-ZIAGYGMSSA-N
InChI=1S/C22H24F6N4O2/c23-15-9-19(27)17(25)5-11(15)3-13(29)7-21(33)31-1-2-32-22(34)8-14(30)4-12-6-18(26)20(28)10-16(12)24/h5-6,9-10,13-14H,1-4,7-8,29-30H2,(H,31,33)(H,32,34)/t13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H24F6N4O2
Molecular Weight 490.442
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:30:22 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:22 GMT 2025
Record UNII
4GVM3D4CEB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenebutanamide, N,N?-1,2-ethanediylbis[?-amino-2,4,5-trifluoro-, (?R,??R)-
Preferred Name English
(?R,??R)-N,N?-1,2-Ethanediylbis[?-amino-2,4,5-trifluorobenzenebutanamide]
Systematic Name English
Code System Code Type Description
CAS
1608491-98-0
Created by admin on Wed Apr 02 17:30:22 GMT 2025 , Edited by admin on Wed Apr 02 17:30:22 GMT 2025
PRIMARY
FDA UNII
4GVM3D4CEB
Created by admin on Wed Apr 02 17:30:22 GMT 2025 , Edited by admin on Wed Apr 02 17:30:22 GMT 2025
PRIMARY
PUBCHEM
163202909
Created by admin on Wed Apr 02 17:30:22 GMT 2025 , Edited by admin on Wed Apr 02 17:30:22 GMT 2025
PRIMARY