KEGG   DRUG: BenfotiamineHelp
Entry
D01255                      Drug                                   

Name
Benfotiamine (JAN/INN);
Biotamin (TN)
Formula
C19H23N4O6PS
Exact mass
466.1076
Mol weight
466.4479
Structure
Mol fileKCF fileDB search
Remark
Therapeutic category: 3122
ATC code: A11DA03
Product: D01255<JP>
Product (mixture): D04911<JP>
Efficacy
Supplement (vitamin B1)
Comment
Vitamin B1 derivative
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11D VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
    A11DA Vitamin B1, plain
     A11DA03 Benfotiamine
      D01255  Benfotiamine (JAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   312  Vitamin B1 preparations
    3122  Vitamin B1 derivatives
     D01255  Benfotiamine (JAN/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  35 Vitamin B1 based drugs
   D01255  Benfotiamine (JAN/INN)
  42 Vitamin B1B6B12 based drugs
   D01255  Benfotiamine (JAN/INN)
  43 Vitamin containing supplements
   D01255  Benfotiamine (JAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Benfotiamine
    D01255  Benfotiamine (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 22457-89-2
PubChem: 7848318
ChEBI: 41039
LigandBox: D01255
NIKKAJI: J3.153D
KCF data Show

ATOM        31
            1   C1b C    15.5400  -20.3000
            2   N1c N    16.7524  -21.0000
            3   C8y C    14.3276  -21.0000
            4   C4a C    17.9479  -20.3096
            5   C2c C    16.7525  -22.3998
            6   C2c C    17.9481  -23.0902
            7   S2a S    19.1352  -22.4048
            8   O4a O    19.1353  -20.9951
            9   C8y C    13.1321  -20.3096
            10  N5x N    11.9196  -21.0095
            11  C8y C    11.9194  -22.4095
            12  N5x N    13.1149  -23.0999
            13  C8x C    14.3274  -22.4000
            14  N1a N    13.1320  -18.9003
            15  C1a C    10.6966  -23.1154
            16  C1a C    15.5232  -23.1097
            17  C1b C    17.9482  -24.4997
            18  C1b C    19.1395  -25.1876
            19  C5a C    20.3266  -23.0928
            20  C8y C    21.5159  -22.4061
            21  O5a O    20.3267  -24.4997
            22  C8x C    22.7062  -23.0934
            23  C8x C    23.9187  -22.3935
            24  C8x C    23.9188  -20.9935
            25  C8x C    22.7285  -20.3062
            26  C8x C    21.5160  -21.0061
            27  O2b O    19.1395  -26.5876
            28  P1b P    19.1395  -27.9876
            29  O1c O    17.7395  -27.9876
            30  O1c O    20.5395  -27.9876
            31  O1c O    19.1395  -29.3876
BOND        32
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     5   6 2
            6     6   7 1
            7     4   8 2
            8     3   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13    3  13 1
            14    9  14 1
            15   11  15 1
            16    5  16 1
            17    6  17 1
            18   17  18 1
            19    7  19 1
            20   19  20 1
            21   19  21 2
            22   20  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   20  26 1
            28   18  27 1
            29   27  28 1
            30   28  29 1
            31   28  30 2
            32   28  31 1

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