KEGG   DRUG: Cycotiamine hydrochloride
Entry
D01457                      Drug                                   
Name
Cycotiamine hydrochloride (JAN)
Formula
C13H16N4O3S. HCl
Exact mass
344.071
Mol weight
344.8171
Structure
Simcomp
Efficacy
Supplement (vitamin B1)
Comment
Vitamin B1 derivative
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Cycotiamine hydrochloride
    D01457  Cycotiamine hydrochloride (JAN)
Other DBs
CAS: 19488-19-8
PubChem: 7848520
ChEBI: 31449
LigandBox: D01457
KCF data

ATOM        22
            1   X   Cl   22.9026  -25.1418
            2   N5x N    11.2700  -22.6100
            3   C8y C    11.2700  -24.0100
            4   N5x N    12.4824  -24.7100
            5   C8x C    13.6949  -24.0100
            6   C8y C    13.6949  -22.6100
            7   C8y C    12.4824  -21.9100
            8   C1a C    10.0576  -24.7100
            9   C1b C    14.9260  -21.8990
            10  N1c N    16.1312  -22.5947
            11  N1a N    12.4824  -20.5102
            12  C4a C    17.3135  -21.9119
            13  C2c C    16.1316  -24.0096
            14  C2y C    17.3205  -24.6959
            15  C1a C    14.8957  -24.7239
            16  S2x S    18.5038  -24.0124
            17  C1x C    17.3210  -26.1097
            18  C1x C    18.5103  -26.7961
            19  O7x O    19.6939  -26.1125
            20  C7x C    19.6938  -24.7102
            21  O6a O    20.8906  -24.0243
            22  O4a O    18.5075  -22.6012
BOND        22
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     3   8 1
            8     6   9 1
            9     9  10 1
            10    7  11 1
            11   10  12 1
            12   10  13 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  16 1
            21   20  21 2
            22   12  22 2

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  All links  
Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (4)   

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