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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H15F3N2O3S
Molecular Weight 360.351
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADARIGILINE

SMILES

CC1=C(ON=C1C2=CC=C(S2)C(=O)N3CCC(O)CC3)C(F)(F)F

InChI

InChIKey=VXBWTNLAIBIATJ-UHFFFAOYSA-N
InChI=1S/C15H15F3N2O3S/c1-8-12(19-23-13(8)15(16,17)18)10-2-3-11(24-10)14(22)20-6-4-9(21)5-7-20/h2-3,9,21H,4-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H15F3N2O3S
Molecular Weight 360.351
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
YRT54V76ZY
Record Status Validated (UNII)
Record Version