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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H9NO2
Molecular Weight 139.1519
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GABACULINE

SMILES

N[C@H]1CC(=CC=C1)C(O)=O

InChI

InChIKey=KFNRJXCQEJIBER-ZCFIWIBFSA-N
InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H9NO2
Molecular Weight 139.1519
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.8 µM [IC50]
Substance Class Chemical
Record UNII
3F3ENU341O
Record Status Validated (UNII)
Record Version