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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, (S)-

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-FQEVSTJZSA-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-/m0/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 11:06:45 GMT 2023
Edited
by admin
on Sat Dec 16 11:06:45 GMT 2023
Record UNII
312HE04BK0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLURALANER, (S)-
Common Name English
(S)-4-(5-(3,5-DICHLOROPHENYL)-5-(TRIFLUOROMETHYL)-4,5-DIHYDROISOXAZOL-3-YL)-2-METHYL-N-(2-OXO-2-((2,2,2-TRIFLUOROETHYL)AMINO)ETHYL)BENZAMIDE
Systematic Name English
A-664
Code English
BENZAMIDE, 4-((5S)-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
(S)-A-1443
Code English
Code System Code Type Description
CAS
1122022-02-9
Created by admin on Sat Dec 16 11:06:45 GMT 2023 , Edited by admin on Sat Dec 16 11:06:45 GMT 2023
PRIMARY
FDA UNII
312HE04BK0
Created by admin on Sat Dec 16 11:06:45 GMT 2023 , Edited by admin on Sat Dec 16 11:06:45 GMT 2023
PRIMARY
PUBCHEM
54671401
Created by admin on Sat Dec 16 11:06:45 GMT 2023 , Edited by admin on Sat Dec 16 11:06:45 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER