KEGG   DRUG: Thiopropazate
Entry
D09216                      Drug                                   
Name
Thiopropazate (INN)
Formula
C23H28ClN3O2S
Exact mass
445.1591
Mol weight
446.0053
Structure
Simcomp
Class
Neuropsychiatric agent
 DG03200  Antipsychotic agent
  DG01905  Phenothiazine antipsychotics
Remark
ATC code: N05AB05
Efficacy
Antipsychotic
Comment
Phenothiazine derivative
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)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03200  Antipsychotic agent
   DG01905  Phenothiazine antipsychotics
    D09216  Thiopropazate
Other DBs
CAS: 84-06-0
PubChem: 96025896
ChEBI: 59119
LigandBox: D09216
NIKKAJI: J4.891G
KCF data

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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