KEGG   DRUG: Adinazolam mesylateHelp
Entry
D02771                      Drug                                   

Name
Adinazolam mesylate (USAN)
Formula
C19H18ClN5. CH4SO3
Exact mass
447.1132
Mol weight
447.9384
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01914  Anxiolytics, benzodiazepine derivatives
Remark
ATC code: N05BA07
Chemical structure group: DG00911
Efficacy
Antidepressant
Comment
Benzodiazepine derivative
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05B ANXIOLYTICS
    N05BA Benzodiazepine derivatives
     N05BA07 Adinazolam
      D02771  Adinazolam mesylate (USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D02771  Adinazolam mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 57938-82-6
PubChem: 17396929
ChEMBL: CHEMBL2106672
DrugBank: DB00546
LigandBox: D02771
NIKKAJI: J367.749D
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1a C    27.3163  -19.5660
            2   S4a S    28.7210  -19.5660
            3   O1d O    30.1257  -19.5660
            4   O1d O    28.7210  -18.1613
            5   O1d O    28.7210  -20.9708
            6   C2y C    23.7277  -17.7708
            7   C8y C    22.8767  -16.6694
            8   C8y C    23.1999  -15.3109
            9   N4y N    24.4549  -14.7225
            10  N2x N    25.1325  -17.7839
            11  C8y C    25.7128  -15.3334
            12  C1x C    26.0108  -16.6985
            13  C8x C    22.1853  -14.3521
            14  C8x C    20.8477  -14.7514
            15  C8y C    20.5246  -16.1100
            16  C8x C    21.5392  -17.0687
            17  C8y C    23.0942  -19.0449
            18  C8x C    21.6712  -19.0629
            19  C8x C    21.0491  -20.3825
            20  C8x C    21.8204  -21.5460
            21  C8x C    23.2452  -21.5277
            22  C8x C    23.8655  -20.2084
            23  N5x N    26.6825  -14.3258
            24  N5x N    26.0239  -13.0922
            25  C8y C    24.6471  -13.3373
            26  C1b C    23.6403  -12.3683
            27  N1c N    22.2449  -12.4028
            28  C1a C    21.5211  -11.2176
            29  C1a C    21.5873  -13.6103
            30  X   Cl   19.2032  -16.5048
BOND        32
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     2   5 2
            5     8   9 1
            6     6  10 2
            7     9  11 1
            8     7   8 1
            9    10  12 1
            10    6   7 1
            11   11  12 1
            12    8  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16    7  16 2
            17    6  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   17  22 1
            24   11  23 2
            25   23  24 1
            26   24  25 2
            27    9  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1
            32   15  30 1

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