KEGG   DRUG: Pyrithioxine
Entry
D02160                      Drug                                   
Name
Pyrithioxine (JAN);
Pyritinol (INN)
Formula
C16H20N2O4S2
Exact mass
368.0864
Mol weight
368.48
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
      D02160  Pyrithioxine (JAN)
Other DBs
CAS: 1098-97-1
PubChem: 7849221
LigandBox: D02160
NIKKAJI: J3.659E
LinkDB
KCF data

ATOM        24
            1   C8y C    19.8822  -15.9610
            2   C8y C    19.8822  -17.3604
            3   C8y C    21.0950  -18.0601
            4   C8y C    22.3079  -17.3604
            5   C8x C    22.3079  -15.9610
            6   N5x N    21.0950  -15.2612
            7   C1b C    23.5207  -18.0601
            8   S3a S    24.7336  -17.3604
            9   S3a S    25.9464  -18.0601
            10  C1b C    27.1593  -17.3604
            11  C8y C    28.3721  -18.0601
            12  C8y C    28.3721  -19.4596
            13  C8y C    29.5850  -20.1593
            14  C8y C    30.7978  -19.4596
            15  N5x N    30.7978  -18.0601
            16  C8x C    29.5850  -17.3604
            17  C1b C    27.1593  -20.1593
            18  O1a O    29.5850  -21.5587
            19  C1a C    32.0107  -20.1593
            20  C1b C    21.0950  -19.4596
            21  O1a O    27.1593  -21.5587
            22  O1a O    19.8822  -20.1593
            23  O1a O    18.6693  -18.0601
            24  C1a C    18.6693  -15.2612
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

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