KEGG   DRUG: ThiethylperazineHelp
Entry
D02354                      Drug                                   

Name
Thiethylperazine (USAN/INN)
Formula
C22H29N3S2
Exact mass
399.1803
Mol weight
399.6158
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
Remark
Same as: C07132
ATC code: R06AD03
Chemical structure group: DG01102
Efficacy
Anti-emetic, Antipsychotic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AD Phenothiazine derivatives
     R06AD03 Thiethylperazine
      D02354  Thiethylperazine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02354  Thiethylperazine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1420-55-9
PubChem: 7849413
ChEBI: 9544
ChEMBL: CHEMBL1378
DrugBank: DB00372
LigandBox: D02354
NIKKAJI: J3.667F
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    28.6440  -19.9600
            2   N1y N    29.8570  -19.2568
            3   C8y C    28.6440  -21.3490
            4   C8x C    27.4310  -19.2568
            5   C8y C    31.0642  -19.9600
            6   S2x S    29.8570  -22.0579
            7   C8x C    27.4310  -22.0579
            8   C8x C    26.2179  -19.9600
            9   C8y C    31.0642  -21.3490
            10  C8x C    32.2714  -19.2568
            11  C8x C    26.2179  -21.3490
            12  C8x C    32.2714  -22.0579
            13  C8y C    33.4785  -19.9600
            14  C8x C    33.4785  -21.3490
            15  S2a S    34.6953  -19.2606
            16  C1b C    35.9177  -19.9698
            17  C1a C    37.1220  -19.2783
            18  C1b C    29.8580  -17.8253
            19  C1b C    31.0922  -17.1137
            20  C1b C    32.2806  -17.8001
            21  N1y N    33.4938  -17.1000
            22  C1x C    34.6721  -17.7806
            23  C1x C    35.8847  -17.0809
            24  N1y N    35.8849  -15.6809
            25  C1x C    34.7066  -15.0003
            26  C1x C    33.4941  -15.7000
            27  C1a C    37.1166  -14.9699
BOND        30
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    7  11 2
            11    9  12 1
            12   10  13 2
            13   12  14 2
            14    6   9 1
            15    8  11 1
            16   13  14 1
            17   13  15 1
            18   15  16 1
            19   16  17 1
            20    2  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   21  26 1
            30   24  27 1

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KEGG   DRUG: Thiethylperazine maleateHelp
Entry
D01130                      Drug                                   

Name
Thiethylperazine maleate (JAN/USP);
Norzine (TN)
Formula
C22H29N3S2. (C4H4O4)2
Exact mass
631.2022
Mol weight
631.7601
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
Remark
ATC code: R06AD03
Chemical structure group: DG01102
Efficacy
Anti-emetic, Antipsychotic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AD Phenothiazine derivatives
     R06AD03 Thiethylperazine
      D01130  Thiethylperazine maleate (JAN/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01130  Thiethylperazine maleate (JAN/USP)
BRITE hierarchy
Other DBs
CAS: 1179-69-7
PubChem: 7848193
ChEBI: 32216
ChEMBL: CHEMBL3989478
DrugBank: DB00372
LigandBox: D01130
NIKKAJI: J473.072K
LinkDB All DBs
KCF data Show

ATOM        43
            1   C6a C    40.5832  -20.1140
            2   C2b C    39.9323  -18.9911
            3   O6a O    39.9382  -21.3127
            4   O6a O    41.8853  -20.1079
            5   C2b C    38.2335  -18.9970
            6   C6a C    37.5885  -20.1258
            7   O6a O    36.2863  -20.1258
            8   O6a O    38.2454  -21.2486
            9   C8y C    23.6600  -21.2800
            10  N1y N    24.8500  -20.5100
            11  C8y C    23.6600  -22.6100
            12  C8x C    22.4000  -20.5100
            13  C8y C    26.0400  -21.2800
            14  S2x S    24.8500  -23.3800
            15  C8x C    22.4000  -23.3800
            16  C8x C    21.2100  -21.2800
            17  C8y C    26.0400  -22.6100
            18  C8x C    27.3000  -20.5100
            19  C8x C    21.2100  -22.6100
            20  C8x C    27.3000  -23.3800
            21  C8y C    28.4900  -21.2800
            22  C8x C    28.4900  -22.6100
            23  S2a S    29.6800  -20.5800
            24  C1b C    30.9400  -21.2800
            25  C1a C    32.1300  -20.5800
            26  C1b C    24.8500  -19.1100
            27  C1b C    26.1100  -18.4100
            28  C1b C    27.3000  -19.1100
            29  N1y N    28.4900  -18.4100
            30  C1x C    29.6800  -19.0400
            31  C1x C    30.8700  -18.3400
            32  N1y N    30.8700  -16.9400
            33  C1x C    29.6800  -16.3100
            34  C1x C    28.4900  -17.0100
            35  C1a C    32.1300  -16.2400
            36  C6a C    40.5832  -20.1140
            37  C2b C    39.9323  -18.9911
            38  C2b C    38.2335  -18.9970
            39  C6a C    37.5885  -20.1258
            40  O6a O    36.2863  -20.1258
            41  O6a O    38.2454  -21.2486
            42  O6a O    39.9382  -21.3127
            43  O6a O    41.8853  -20.1079
BOND        44
            1     9  10 1
            2     9  11 2
            3     9  12 1
            4    10  13 1
            5    11  14 1
            6    11  15 1
            7    12  16 2
            8    13  17 2
            9    13  18 1
            10   15  19 2
            11   17  20 1
            12   18  21 2
            13   20  22 2
            14   14  17 1
            15   16  19 1
            16   21  22 1
            17   21  23 1
            18   23  24 1
            19   24  25 1
            20   10  26 1
            21   26  27 1
            22   27  28 1
            23   28  29 1
            24   29  30 1
            25   30  31 1
            26   31  32 1
            27   32  33 1
            28   33  34 1
            29   29  34 1
            30   32  35 1
            31    6   7 1
            32    6   8 2
            33    1   2 1
            34    1   3 1
            35    1   4 2
            36    2   5 2
            37    5   6 1
            38   39  40 1
            39   39  41 2
            40   36  37 1
            41   36  42 1
            42   36  43 2
            43   37  38 2
            44   38  39 1
BRACKET     1    34.5800  -21.9800   34.5800  -18.4100
            1    42.9100  -18.4100   42.9100  -21.9800
            1  2
 ORIGINAL  1    1   2   5   6   7   8   3   4
 REPEAT    1   36  37  38  39  40  41  42  43

» Japanese version   » Back

KEGG   DRUG: Thiethylperazine malateHelp
Entry
D02610                      Drug                                   

Name
Thiethylperazine malate (JAN);
Torecan (TN)
Formula
C22H29N3S2. (C4H6O5)2
Exact mass
667.2233
Mol weight
667.7906
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
Remark
ATC code: R06AD03
Chemical structure group: DG01102
Efficacy
Anti-emetic, Antipsychotic, Antivertigo, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AD Phenothiazine derivatives
     R06AD03 Thiethylperazine
      D02610  Thiethylperazine malate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02610  Thiethylperazine malate (JAN)
BRITE hierarchy
Other DBs
CAS: 52239-63-1
PubChem: 17396780
ChEMBL: CHEMBL2359670
DrugBank: DB00372
LigandBox: D02610
NIKKAJI: J244.403H
LinkDB All DBs
KCF data Show

ATOM        45
            1   O6a O    35.4200  -19.1100
            2   C6a C    36.6324  -19.8100
            3   C1c C    37.8449  -19.1100
            4   C1b C    39.0573  -19.8100
            5   C6a C    40.2697  -19.1100
            6   O6a O    41.4822  -19.8100
            7   O6a O    36.6324  -21.2098
            8   O6a O    40.2697  -17.7101
            9   O1a O    37.8449  -17.7102
            10  C8y C    23.2400  -19.9500
            11  N1y N    24.4300  -19.1800
            12  C8y C    23.2400  -21.2800
            13  C8x C    21.9800  -19.1800
            14  C8y C    25.6200  -19.9500
            15  S2x S    24.4300  -22.0500
            16  C8x C    21.9800  -22.0500
            17  C8x C    20.7900  -19.9500
            18  C8y C    25.6200  -21.2800
            19  C8x C    26.8800  -19.1800
            20  C8x C    20.7900  -21.2800
            21  C8x C    26.8800  -22.0500
            22  C8y C    28.0700  -19.9500
            23  C8x C    28.0700  -21.2800
            24  S2a S    29.2600  -19.2500
            25  C1b C    30.5200  -19.9500
            26  C1a C    31.7100  -19.2500
            27  C1b C    24.4300  -17.7800
            28  C1b C    25.6900  -17.0800
            29  C1b C    26.8800  -17.7800
            30  N1y N    28.0700  -17.0800
            31  C1x C    29.2600  -17.7100
            32  C1x C    30.4500  -17.0100
            33  N1y N    30.4500  -15.6100
            34  C1x C    29.2600  -14.9800
            35  C1x C    28.0700  -15.6800
            36  C1a C    31.7100  -14.9100
            37  O6a O    35.4200  -19.1100
            38  C6a C    36.6324  -19.8100
            39  C1c C    37.8449  -19.1100
            40  C1b C    39.0573  -19.8100
            41  C6a C    40.2697  -19.1100
            42  O6a O    41.4822  -19.8100
            43  O6a O    40.2697  -17.7101
            44  O1a O    37.8449  -17.7102
            45  O6a O    36.6324  -21.2098
BOND        46
            1    10  11 1
            2    10  12 2
            3    10  13 1
            4    11  14 1
            5    12  15 1
            6    12  16 1
            7    13  17 2
            8    14  18 2
            9    14  19 1
            10   16  20 2
            11   18  21 1
            12   19  22 2
            13   21  23 2
            14   15  18 1
            15   17  20 1
            16   22  23 1
            17   22  24 1
            18   24  25 1
            19   25  26 1
            20   11  27 1
            21   27  28 1
            22   28  29 1
            23   29  30 1
            24   30  31 1
            25   31  32 1
            26   32  33 1
            27   33  34 1
            28   34  35 1
            29   30  35 1
            30   33  36 1
            31    1   2 1
            32    2   3 1
            33    3   4 1
            34    4   5 1
            35    5   6 1
            36    2   7 2
            37    5   8 2
            38    3   9 1
            39   37  38 1
            40   38  39 1
            41   39  40 1
            42   40  41 1
            43   41  42 1
            44   38  45 2
            45   41  43 2
            46   39  44 1
BRACKET     1    33.9500  -22.1900   33.9500  -16.1700
            1    42.9100  -16.1700   42.9100  -22.1900
            1  2
 ORIGINAL  1    1   2   3   4   5   6   8   9   7
 REPEAT    1   37  38  39  40  41  42  43  44  45

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