KEGG   DRUG: Pyrithioxine hydrochloride
Entry
D02536                      Drug                                   
Name
Pyrithioxine hydrochloride (JAN);
Pyrithioxine dihydrochloride hydrate;
Pyritinol dihydrochloride
Formula
C16H20N2O4S2. 2HCl. H2O
Exact mass
458.0504
Mol weight
459.4082
Structure
Simcomp
Remark
ATC code: N06BX02
Chemical structure group: DG00976
Efficacy
Nootropic
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06B PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
    N06BX Other psychostimulants and nootropics
     N06BX02 Pyritinol
      D02536  Pyrithioxine hydrochloride (JAN)
Other DBs
PubChem: 17396707
LigandBox: D02536
LinkDB
KCF data

ATOM        27
            1   C8y C    14.7648  -15.9538
            2   C8y C    14.7648  -17.3532
            3   C8y C    16.0242  -18.0529
            4   C8y C    17.2137  -17.3532
            5   C8x C    17.2137  -15.9538
            6   N5x N    16.0242  -15.2542
            7   C1b C    18.4032  -18.0529
            8   S3a S    19.5926  -17.3532
            9   S3a S    20.8521  -18.0529
            10  C1b C    22.0415  -17.3532
            11  C8y C    23.2310  -18.0529
            12  C8y C    23.2310  -19.4523
            13  C8y C    24.4904  -20.1520
            14  C8y C    25.6799  -19.4523
            15  N5x N    25.6799  -18.0529
            16  C8x C    24.4904  -17.3532
            17  C1b C    22.0415  -20.1520
            18  O1a O    24.4904  -21.5513
            19  C1a C    26.8694  -20.1520
            20  C1b C    16.0242  -19.4523
            21  O1a O    22.0415  -21.5513
            22  O1a O    14.7648  -20.1520
            23  O1a O    13.5753  -18.0529
            24  C1a C    13.5753  -15.2542
            25  X   Cl   31.5570  -16.5126
            26  O0  O    31.8347  -19.5226
            27  X   Cl   31.5570  -16.5126
BOND        25
            1     6   1 1
            2     4   7 1
            3     1   2 2
            4    11  12 2
            5    12  13 1
            6    13  14 2
            7    14  15 1
            8    15  16 2
            9    16  11 1
            10    7   8 1
            11   12  17 1
            12    2   3 1
            13   13  18 1
            14    8   9 1
            15   14  19 1
            16    3   4 2
            17    3  20 1
            18    9  10 1
            19   17  21 1
            20    4   5 1
            21   20  22 1
            22   10  11 1
            23    2  23 1
            24    5   6 2
            25    1  24 1
BRACKET     1    29.9600  -17.2200   29.9600  -15.7500
            1    32.4100  -15.7500   32.4100  -17.2200
            1  2
 ORIGINAL  1   25
 REPEAT    1   27

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