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Details

Stereochemistry UNKNOWN
Molecular Formula C15H6Cl2F8N4
Molecular Weight 465.128
Optical Activity ( - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SISAPRONIL, (-)-

SMILES

NC1=C(C(=NN1C2=C(Cl)C=C(C=C2Cl)C(F)(F)F)C#N)C3(CC3(F)F)C(F)(F)F

InChI

InChIKey=VBAVKJPWXSLDSG-UHFFFAOYSA-N
InChI=1S/C15H6Cl2F8N4/c16-6-1-5(14(20,21)22)2-7(17)10(6)29-11(27)9(8(3-26)28-29)12(15(23,24)25)4-13(12,18)19/h1-2H,4,27H2

HIDE SMILES / InChI

Molecular Formula C15H6Cl2F8N4
Molecular Weight 465.128
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:46:29 GMT 2023
Edited
by admin
on Sat Dec 16 11:46:29 GMT 2023
Record UNII
I1C8FLW58C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SISAPRONIL, (-)-
Common Name English
1H-PYRAZOLE-3-CARBONITRILE, 5-AMINO-1-(2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL)-4-(2,2-DIFLUORO-1-(TRIFLUOROMETHYL)CYCLOPROPYL)-, (-)-
Systematic Name English
Code System Code Type Description
FDA UNII
I1C8FLW58C
Created by admin on Sat Dec 16 11:46:30 GMT 2023 , Edited by admin on Sat Dec 16 11:46:30 GMT 2023
PRIMARY
CAS
856225-90-6
Created by admin on Sat Dec 16 11:46:30 GMT 2023 , Edited by admin on Sat Dec 16 11:46:30 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER