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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H17Cl2F6N3O3
Molecular Weight 556.285
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLURALANER, (R)-

SMILES

CC1=C(C=CC(=C1)C2=NO[C@](C2)(C3=CC(Cl)=CC(Cl)=C3)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F

InChI

InChIKey=MLBZKOGAMRTSKP-HXUWFJFHSA-N
InChI=1S/C22H17Cl2F6N3O3/c1-11-4-12(2-3-16(11)19(35)31-9-18(34)32-10-21(25,26)27)17-8-20(36-33-17,22(28,29)30)13-5-14(23)7-15(24)6-13/h2-7H,8-10H2,1H3,(H,31,35)(H,32,34)/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H17Cl2F6N3O3
Molecular Weight 556.285
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 12:18:56 GMT 2023
Edited
by admin
on Sat Dec 16 12:18:56 GMT 2023
Record UNII
GS7L1RUR5I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLURALANER, (R)-
Common Name English
(R)-A-1443
Code English
A-663
Code English
BENZAMIDE, 4-((5R)-5-(3,5-DICHLOROPHENYL)-4,5-DIHYDRO-5-(TRIFLUOROMETHYL)-3-ISOXAZOLYL)-2-METHYL-N-(2-OXO-2-((2,2,2-TRIFLUOROETHYL)AMINO)ETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71300892
Created by admin on Sat Dec 16 12:18:56 GMT 2023 , Edited by admin on Sat Dec 16 12:18:56 GMT 2023
PRIMARY
FDA UNII
GS7L1RUR5I
Created by admin on Sat Dec 16 12:18:56 GMT 2023 , Edited by admin on Sat Dec 16 12:18:56 GMT 2023
PRIMARY
CAS
1122022-03-0
Created by admin on Sat Dec 16 12:18:56 GMT 2023 , Edited by admin on Sat Dec 16 12:18:56 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER