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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18FNO
Molecular Weight 223.2865
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAROXOL, (+)-

SMILES

CN1CC[C@@H]([C@@H](CO)C1)C2=CC=C(F)C=C2

InChI

InChIKey=CXRHUYYZISIIMT-DGCLKSJQSA-N
InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H18FNO
Molecular Weight 223.2865
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
XC4L1C104G
Record Status Validated (UNII)
Record Version