KEGG   DRUG: Ondelopran hydrochloride
Entry
D10144                      Drug                                   
Name
Ondelopran hydrochloride (USAN);
Odelepran hydrochloride
Formula
C20H24FN3O3. HCl
Exact mass
409.1568
Mol weight
409.88
Structure
Simcomp
Remark
ATC code: N07BB06
Chemical structure group: DG01756
Efficacy
Antialcohol dependence
Comment
Treatment of alcohol dependence
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BB Drugs used in alcohol dependence
     N07BB06 Ondelopran
      D10144  Ondelopran hydrochloride (USAN)
Other DBs
CAS: 1179819-25-0
PubChem: 135626862
LigandBox: D10144
LinkDB
KCF data

ATOM        28
            1   O2x O    15.4700  -18.6900
            2   C1x C    15.4700  -20.0900
            3   C1x C    16.6600  -20.7900
            4   C1y C    17.8500  -20.0900
            5   C1x C    17.8500  -18.6900
            6   C1x C    16.6600  -17.9900
            7   C1b C    19.1100  -20.7900
            8   C1b C    20.3000  -20.0900
            9   N1b N    21.4900  -20.7900
            10  C1b C    22.6800  -20.0900
            11  C8y C    23.8700  -20.7900
            12  C8x C    23.8700  -22.1900
            13  C8y C    25.1300  -22.8900
            14  C8y C    26.3200  -22.1900
            15  C8x C    26.3200  -20.7900
            16  C8x C    25.1300  -20.0900
            17  X   F    25.1300  -24.2900
            18  O2a O    27.5800  -22.8900
            19  C8y C    28.7700  -22.1900
            20  C8x C    29.9600  -22.8900
            21  C8x C    31.1500  -22.1900
            22  C8y C    31.1500  -20.7900
            23  C8x C    29.9600  -20.0900
            24  N5x N    28.7700  -20.7900
            25  C5a C    32.4100  -20.0900
            26  N1a N    33.6000  -20.7900
            27  O5a O    32.4100  -18.6900
            28  X   Cl   33.6700  -24.3600
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   13  17 1
            19   14  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   25  26 1
            29   25  27 2

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