KEGG   DRUG: ThiopropazateHelp
Entry
D09216                      Drug                                   

Name
Thiopropazate (INN)
Formula
C23H28ClN3O2S
Exact mass
445.1591
Mol weight
446.0053
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
Remark
ATC code: N05AB05
Efficacy
Antipsychotic
Comment
Phenothiazine derivative
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AB Phenothiazines with piperazine structure
     N05AB05 Thiopropazate
      D09216  Thiopropazate (INN)
BRITE hierarchy
Other DBs
CAS: 84-06-0
PubChem: 96025896
ChEBI: 59119
ChEMBL: CHEMBL1697851
LigandBox: D09216
NIKKAJI: J4.891G
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8x C    21.0000  -22.5400
            2   C8x C    21.0000  -24.0100
            3   C8x C    22.1900  -24.7100
            4   C8y C    23.3800  -24.0100
            5   C8y C    23.3800  -22.5400
            6   C8x C    22.1900  -21.8400
            7   S2x S    24.6400  -24.7100
            8   C8y C    25.8300  -24.0100
            9   C8y C    25.8300  -22.5400
            10  N4y N    24.6400  -21.8400
            11  C8x C    27.0200  -24.7100
            12  C8x C    28.2800  -24.0100
            13  C8y C    28.2800  -22.5400
            14  C8x C    27.0200  -21.8400
            15  C1b C    24.6400  -20.4400
            16  C1b C    25.8300  -19.7400
            17  C1b C    27.0200  -20.4400
            18  N1y N    28.2100  -19.7400
            19  C1x C    29.4000  -20.4400
            20  C1x C    30.6600  -19.7400
            21  N1y N    30.6600  -18.3400
            22  C1x C    29.4700  -17.6400
            23  C1x C    28.2100  -18.3400
            24  C1b C    31.8500  -17.6400
            25  C1b C    33.1100  -18.3400
            26  O7a O    34.2300  -17.6400
            27  X   Cl   29.4700  -21.8400
            28  C7a C    35.4662  -18.2971
            29  C1a C    36.6828  -17.5371
            30  O6a O    35.5146  -19.6698
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   10  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   21  24 1
            28   24  25 1
            29   25  26 1
            30   13  27 1
            31   26  28 1
            32   28  29 1
            33   28  30 2

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