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Details

Stereochemistry RACEMIC
Molecular Formula C22H19F6NO
Molecular Weight 427.3828
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WR-122455 FREE BASE

SMILES

[H][C@@]1(CCCCN1)[C@@H](O)C2=CC3=C(C=C(C=C3)C(F)(F)F)C4=C2C=CC(=C4)C(F)(F)F

InChI

InChIKey=FVVWTCZWVDUHPH-UXHICEINSA-N
InChI=1S/C22H19F6NO/c23-21(24,25)13-5-4-12-9-18(20(30)19-3-1-2-8-29-19)15-7-6-14(22(26,27)28)11-17(15)16(12)10-13/h4-7,9-11,19-20,29-30H,1-3,8H2/t19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H19F6NO
Molecular Weight 427.3828
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7P13170F5S
Record Status Validated (UNII)
Record Version