KEGG   DRUG: Cetotiamine hydrochloride hydrate
Entry
D03292                      Drug                                   
Name
Cetotiamine hydrochloride hydrate (JP18);
Dicethiamine hydrochloride hydrate;
Dicetamin (TN)
Formula
C18H26N4O6S. HCl. H2O
Exact mass
480.1445
Mol weight
480.9635
Structure
Remark
Therapeutic category: 3122
Product: D03292<JP>
Efficacy
Supplement (vitamin B1)
Comment
Vitamin B1 derivative
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   312  Vitamin B1 preparations
    3122  Vitamin B1 derivatives
     D03292  Cetotiamine hydrochloride hydrate (JP18)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  35 Vitamin B1 based drugs
   D03292  Cetotiamine hydrochloride hydrate (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Dicethiamine
    D03292  Cetotiamine hydrochloride hydrate (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D03292  Cetotiamine hydrochloride hydrate
Other DBs
PubChem: 17397443
LigandBox: D03292
LinkDB
KCF data

ATOM        31
            1   X   Cl   15.8276  -25.6308
            2   O0  O    19.4700  -25.6308
            3   N5x N    15.8900  -18.4800
            4   C8y C    15.8900  -19.8800
            5   N5x N    17.0800  -20.5800
            6   C8x C    18.3400  -19.8800
            7   C8y C    18.3400  -18.4800
            8   C8y C    17.0800  -17.7800
            9   C1a C    14.7000  -20.5800
            10  C1b C    19.5300  -17.7800
            11  N1c N    20.7200  -18.4800
            12  C4a C    21.9100  -17.7800
            13  C2c C    20.7200  -19.8800
            14  C2c C    21.9100  -20.5800
            15  N1a N    17.0800  -16.3800
            16  C1a C    19.5300  -20.5800
            17  S2a S    23.1000  -19.8800
            18  C1b C    21.9100  -21.9800
            19  C7a C    24.2900  -20.5800
            20  O7a O    25.4800  -19.8800
            21  C1b C    26.6700  -20.5800
            22  C1a C    27.8600  -19.8800
            23  O6a O    24.2900  -21.9800
            24  C1b C    23.1000  -22.6800
            25  O7a O    23.1000  -24.0800
            26  C7a C    24.2900  -24.7800
            27  O7a O    25.4800  -24.0800
            28  O6a O    24.2900  -26.1800
            29  C1b C    26.6700  -24.7800
            30  C1a C    27.8600  -24.0800
            31  O4a O    23.1000  -18.4800
BOND        29
            1     3   4 1
            2     4   5 2
            3     5   6 1
            4     6   7 2
            5     7   8 1
            6     3   8 2
            7     4   9 1
            8     7  10 1
            9    10  11 1
            10   11  12 1
            11   11  13 1
            12   13  14 2
            13    8  15 1
            14   13  16 1
            15   14  17 1
            16   14  18 1
            17   17  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   19  23 2
            22   18  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   26  28 2
            27   27  29 1
            28   29  30 1
            29   12  31 2

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