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Details

Stereochemistry RACEMIC
Molecular Formula C22H19F6NO.ClH
Molecular Weight 463.844
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WR-122455

SMILES

Cl.O[C@H]([C@H]1CCCCN1)C2=CC3=C(C=C(C=C3)C(F)(F)F)C4=CC(=CC=C24)C(F)(F)F

InChI

InChIKey=HKAMJBJQZVUJFZ-FDOHDBATSA-N
InChI=1S/C22H19F6NO.ClH/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;1H/t19-,20+;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
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

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
V02QBL7JKT
Record Status Validated (UNII)
Record Version