KEGG   DRUG: ImagabalinHelp
Entry
D09627                      Drug                                   

Name
Imagabalin (USAN/INN)
Formula
C9H19NO2
Exact mass
173.1416
Mol weight
173.2527
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01492
Efficacy
Antianxiety
Comment
GABA derivative
Treatment of general anxiety disorder
Other DBs
CAS: 610300-07-7
PubChem: 124490367
ChEMBL: CHEMBL2103836
LigandBox: D09627
LinkDB All DBs
KCF data Show

ATOM        12
            1   C1a C    14.4900  -22.1900
            2   C1b C    15.7024  -21.4900
            3   C1b C    16.9149  -22.1900
            4   C1c C    18.1273  -21.4900
            5   C1b C    19.3397  -22.1900
            6   C1c C    20.5522  -21.4900
            7   C1b C    21.7646  -22.1900
            8   C6a C    22.9770  -21.4900
            9   O6a O    24.1895  -22.1900
            10  C1a C    18.1273  -20.0900
            11  N1a N    20.5522  -20.0903
            12  O6a O    22.9770  -20.0901
BOND        11
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     4  10 1 #Up
            10    6  11 1 #Down
            11    8  12 2

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