KEGG   DRUG: BisibuthiamineHelp
Entry
D01319                      Drug                                   

Name
Bisibuthiamine (JAN);
Sulbutiamine (INN);
Youvitan (TN)
Formula
C32H46N8O6S2
Exact mass
702.2982
Mol weight
702.8876
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C12750
ATC code: A11DA02
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
     A11DA02 Sulbutiamine
      D01319  Bisibuthiamine (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Bisibuthiamine
    D01319  Bisibuthiamine (JAN)
BRITE hierarchy
Other DBs
CAS: 3286-46-2
PubChem: 7848382
ChEBI: 31290
ChEMBL: CHEMBL2105813
LigandBox: D01319
NIKKAJI: J4.424E
LinkDB All DBs
KCF data Show

ATOM        48
            1   C1b C    17.0100  -21.4200
            2   N1c N    18.2000  -22.1200
            3   C8y C    15.8200  -22.1200
            4   C8y C    14.6300  -21.4200
            5   N5x N    13.3700  -22.1200
            6   C8y C    13.3700  -23.5200
            7   N5x N    14.5600  -24.2200
            8   C8x C    15.8200  -23.5200
            9   N1a N    14.6300  -20.0200
            10  C1a C    12.1800  -24.2200
            11  C4a C    19.3900  -21.4200
            12  C2c C    18.2000  -23.5200
            13  O4a O    20.5800  -22.1200
            14  C2c C    19.3900  -24.2200
            15  C1a C    17.0100  -24.2200
            16  S3a S    20.5800  -23.5200
            17  S3a S    21.7700  -24.2200
            18  C1b C    19.3900  -25.6200
            19  C1b C    20.5800  -26.3200
            20  O7a O    20.5800  -27.7200
            21  C7a C    21.7700  -28.4200
            22  C2c C    22.9600  -23.5200
            23  C2c C    24.1500  -24.2200
            24  C1a C    25.3400  -23.5200
            25  N1c N    24.1500  -25.6200
            26  C1b C    25.3400  -26.3200
            27  C8y C    26.5300  -25.6200
            28  O6a O    22.9600  -27.7200
            29  C1c C    21.7700  -29.8200
            30  C1a C    23.0300  -30.5200
            31  C1a C    20.6500  -30.5200
            32  C4a C    22.9600  -26.3200
            33  O4a O    21.7700  -25.6200
            34  C1b C    22.9600  -22.1200
            35  C1b C    21.7700  -21.4200
            36  O7a O    21.7700  -20.0200
            37  C7a C    20.5800  -19.3200
            38  O6a O    19.3900  -20.0200
            39  C1c C    20.5800  -17.9200
            40  C1a C    19.3900  -17.2200
            41  C1a C    21.7700  -17.2200
            42  C8y C    27.7200  -26.3200
            43  N5x N    28.9800  -25.6200
            44  C8y C    28.9800  -24.2200
            45  N5x N    27.7900  -23.5200
            46  C8x C    26.5300  -24.2200
            47  N1a N    27.7200  -27.7200
            48  C1a C    30.1700  -23.5200
BOND        49
            1     1   2 1
            2     1   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     3   8 1
            9     4   9 1
            10    6  10 1
            11    2  11 1
            12    2  12 1
            13   11  13 2
            14   12  14 2
            15   12  15 1
            16   14  16 1
            17   16  17 1
            18   14  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   17  22 1
            23   22  23 2
            24   23  24 1
            25   23  25 1
            26   25  26 1
            27   26  27 1
            28   21  28 2
            29   21  29 1
            30   29  30 1
            31   29  31 1
            32   25  32 1
            33   32  33 2
            34   22  34 1
            35   34  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 2
            39   37  39 1
            40   39  40 1
            41   39  41 1
            42   27  42 1
            43   42  43 2
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   27  46 2
            48   42  47 1
            49   44  48 1

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