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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H17F3N2O4
Molecular Weight 406.3552
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLOCTAFENINE, (S)-

SMILES

OC[C@H](O)COC(=O)C1=C(NC2=CC=NC3=C(C=CC=C23)C(F)(F)F)C=CC=C1

InChI

InChIKey=APQPGQGAWABJLN-LBPRGKRZSA-N
InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H17F3N2O4
Molecular Weight 406.3552
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
B19E9L3354
Record Status Validated (UNII)
Record Version