KEGG   DRUG: Batanopride hydrochlorideHelp
Entry
D03060                      Drug                                   

Name
Batanopride hydrochloride (USAN)
Formula
C17H26ClN3O3. HCl
Exact mass
391.1429
Mol weight
392.3206
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01762  Antiemetic
  DG01783  Benzamide type antiemetic
Other
 DG01489  5-HT3-receptor antagonist
Efficacy
Anti-emetic, Serotonin 5-HT3 receptor antagonist
Target
  Pathway
hsa04726  Serotonergic synapse
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D03060  Batanopride hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 102670-59-7
PubChem: 17397215
ChEMBL: CHEMBL2105916
LigandBox: D03060
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    25.1625  -19.2382
            2   C8y C    25.1625  -17.8342
            3   C8x C    23.9624  -19.9314
            4   C5a C    26.3801  -19.9314
            5   C8x C    23.9624  -17.1294
            6   O2a O    26.3801  -17.1294
            7   C8y C    22.7449  -19.2382
            8   N1b N    27.5917  -19.2323
            9   O5a O    26.3801  -21.3352
            10  C8y C    22.7449  -17.8342
            11  X   Cl   21.5333  -19.9314
            12  C1b C    28.8092  -19.9314
            13  N1a N    21.5333  -17.1294
            14  C1b C    30.0208  -19.2323
            15  N1c N    31.2383  -19.9256
            16  C1b C    32.4501  -19.2323
            17  C1b C    31.2383  -21.3295
            18  C1a C    33.6560  -19.9256
            19  C1a C    32.4501  -22.0343
            20  C1c C    26.3817  -15.7500
            21  C5a C    27.6012  -15.0478
            22  C1a C    25.1763  -15.0522
            23  C1a C    28.7978  -15.7407
            24  O5a O    27.6029  -13.6502
            25  X   Cl   38.8500  -20.0900
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    7  11 1
            11    8  12 1
            12   10  13 1
            13   12  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19    7  10 2
            20    6  20 1
            21   20  21 1
            22   20  22 1
            23   21  23 1
            24   21  24 2

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