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Details

Stereochemistry RACEMIC
Molecular Formula C21H23NO4
Molecular Weight 353.4116
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-HYDROXYOLOPATADINE

SMILES

CN(C)CC\C=C1\C2=CC=CC=C2COC3=CC=C(C=C13)C(O)C(O)=O

InChI

InChIKey=WPDCFRNNHUYQGW-IUXPMGMMSA-N
InChI=1S/C21H23NO4/c1-22(2)11-5-8-17-16-7-4-3-6-15(16)13-26-19-10-9-14(12-18(17)19)20(23)21(24)25/h3-4,6-10,12,20,23H,5,11,13H2,1-2H3,(H,24,25)/b17-8-

HIDE SMILES / InChI

Molecular Formula C21H23NO4
Molecular Weight 353.4116
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
V7H6ZA5GDW
Record Status Validated (UNII)
Record Version