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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22F9N3O2
Molecular Weight 507.3932
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELCUBRAGISTAT

SMILES

FC(F)(F)C(OC(=O)N1CCN(CC2=CC=C(C=C2N3CCCC3)C(F)(F)F)CC1)C(F)(F)F

InChI

InChIKey=SQZJGTOZFRNWCX-UHFFFAOYSA-N
InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2

HIDE SMILES / InChI

Molecular Formula C20H22F9N3O2
Molecular Weight 507.3932
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
FB39E94UXK
Record Status Validated (UNII)
Record Version