KEGG   DRUG: Mecobalamin
Entry
D03246                      Drug                                   
Name
Mecobalamin (JP18/USAN);
Adestolmin (TN)
Formula
C62H88N13O14P. Co. CH3
Exact mass
1343.5878
Mol weight
1344.3823
Structure
Simcomp
Remark
Same as: C06453
Therapeutic category: 3136
ATC code: B03BA05
Product: D03246<JP>
Efficacy
Hematinic, Peripheral neuropathy agent, Supplement (vitamin B12)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B03 ANTIANEMIC PREPARATIONS
   B03B VITAMIN B12 AND FOLIC ACID
    B03BA Vitamin B12 (cyanocobalamin and analogues)
     B03BA05 Mecobalamin
      D03246  Mecobalamin (JP18/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   313  Vitamin B preparations
    3136  Vitamin B12 preparations
     D03246  Mecobalamin (JP18/USAN)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  42 Vitamin B1B6B12 based drugs
   D03246  Mecobalamin (JP18/USAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Mecobalamin
    D03246  Mecobalamin (JP18/USAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D03246  Mecobalamin
  D03246  Mecobalamin tablets
Rx-to-OTC switch list in Japan [br08314.html]
 D03246
Other DBs
CAS: 13422-55-4
PubChem: 17397399
ChEBI: 28115
NIKKAJI: J1.706.550E
KCF data

ATOM        92
            1   N2x N     3.4519  -10.0843
            2   N1x N     3.3069  -11.6708 #-
            3   N2x N     5.1468  -10.1134
            4   N2x N     5.1280  -11.7404
            5   N5x N     5.1246  -16.2379
            6   C1z C     2.6838  -10.2149
            7   C2y C     3.5853   -9.3237
            8   C1y C     2.6838  -11.6464
            9   C2y C     3.5819  -12.5259
            10  C2y C     4.9886   -9.3492
            11  C2y C     5.9260  -10.1894
            12  C2y C     4.9920  -12.5011
            13  C2y C     5.9114  -11.6353
            14  C8y C     5.8534  -16.4721
            15  C8x C     4.6818  -16.8694
            16  C1z C     2.3232   -9.5074
            17  C1a C     1.9148  -10.4201
            18  C1y C     2.8855   -8.9596
            19  C2y C     4.2845   -9.0605
            20  C1y C     2.3232  -12.3463
            21  C1z C     2.8855  -12.8906
            22  C2y C     4.2845  -12.8002
            23  C1z C     5.6704   -8.9630
            24  C1y C     6.2431   -9.4750
            25  C2x C     6.2217  -10.9107
            26  C1y C     5.6773  -12.8803
            27  C1z C     6.2507  -12.3463
            28  C8y C     5.8569  -17.2362
            29  C8x C     6.5243  -16.0935
            30  N4y N     5.1246  -17.4780
            31  C1b C     1.5438   -9.4998
            32  C1a C     2.1097   -8.7544
            33  C1b C     2.9042   -8.1845
            34  C1a C     4.2810   -8.2633
            35  C1b C     1.4720  -12.3429
            36  C1b C     2.8820  -13.6658
            37  C1a C     3.6239  -13.0890
            38  C1a C     4.2810  -13.5905
            39  C1b C     5.6669   -8.1734
            40  C1b C     7.0182   -9.4674
            41  C1b C     5.7526  -13.6589
            42  C1a C     6.9969  -12.1397
            43  C1a C     6.5353  -13.0779
            44  C8x C     6.5243  -17.6300
            45  C8y C     7.1959  -16.4721
            46  C1y C     2.3985  -19.4263
            47  C5a C     1.1583   -8.8255
            48  C1b C     2.2292   -7.7872
            49  C5a C     1.1901  -13.0710
            50  C1b C     2.1967  -14.0665
            51  C5a C     6.3295   -7.7768
            52  C1b C     7.4079   -8.7897
            53  C1b C     6.4636  -13.9795
            54  C8y C     7.1959  -17.2362
            55  C1a C     7.8556  -16.0970
            56  C1y C     2.1635  -18.6982
            57  O2x O     1.7310  -19.8050
            58  N1a N     0.3824   -8.8221
            59  O5a O     1.1333   -7.9756
            60  C5a C     2.2326   -7.0122
            61  N1a N     0.4260  -13.1898
            62  O5a O     1.6806  -13.6624
            63  C5a C     2.1891  -14.8486
            64  N1a N     6.3295   -7.0066
            65  O5a O     7.0113   -8.1699
            66  C5a C     8.1831   -8.7862
            67  C5a C     6.5430  -14.7553
            68  C1a C     7.8556  -17.6300
            69  C1y C     1.4036  -18.6829
            70  O1a O     2.6257  -18.0735
            71  C1y C     1.1583  -19.4075
            72  N1a N     1.5652   -6.6129
            73  O5a O     2.9180   -6.6276
            74  N1b N     1.5072  -15.2348
            75  O5a O     2.8640  -15.2458
            76  N1a N     8.5845   -8.1043
            77  O5a O     8.5914   -9.4640
            78  N1a N     5.9004  -15.2065
            79  O5a O     7.2566  -15.0801
            80  O2b O     0.9517  -18.0556
            81  C1b C     0.3755  -19.6750
            82  C1b C     1.5149  -16.0389
            83  P1b P     0.0936  -17.6770
            84  O1a O     0.2636  -20.2022
            85  C1c C     0.8156  -16.4542
            86  O2b O     0.8156  -17.2583
            87  O1c O    -0.6200  -17.2583 #-
            88  O1c O    -0.4866  -18.2615
            89  C1a C     0.1151  -16.0466
            90  C1a C     4.9500   -8.5500
            91  Z   Co    4.0167  -10.9292 #3+
            92  C0  C     7.7708  -10.8458 #-
BOND        97
            1     1   6 1
            2     1   7 2
            3     2   8 1
            4     2   9 1
            5     3  10 1
            6     3  11 2
            7     4  12 2
            8     4  13 1
            9     5  14 1
            10    5  15 2
            11    6  16 1
            12    6  17 1 #Down
            13    7  18 1
            14    7  19 1
            15    8  20 1
            16    9  21 1
            17    9  22 2
            18   10  23 1
            19   11  24 1
            20   11  25 1
            21   12  26 1
            22   13  27 1
            23   14  28 2
            24   14  29 1
            25   15  30 1
            26   16  31 1 #Up
            27   16  32 1 #Down
            28   18  33 1 #Down
            29   19  34 1
            30   20  35 1 #Up
            31   21  36 1 #Down
            32   21  37 1 #Up
            33   22  38 1
            34   23  39 1 #Up
            35   24  40 1 #Down
            36   26  41 1 #Down
            37   27  42 1
            38   27  43 1
            39   28  44 1
            40   29  45 2
            41   30  46 1
            42   31  47 1
            43   33  48 1
            44   35  49 1
            45   36  50 1
            46   39  51 1
            47   40  52 1
            48   41  53 1
            49   44  54 2
            50   45  55 1
            51   46  56 1
            52   46  57 1 #Up
            53   47  58 1
            54   47  59 2
            55   48  60 1
            56   49  61 1
            57   49  62 2
            58   50  63 1
            59   51  64 1
            60   51  65 2
            61   52  66 1
            62   53  67 1
            63   54  68 1
            64   56  69 1
            65   56  70 1
            66   71  57 1 #Up
            67   60  72 1
            68   60  73 2
            69   63  74 1
            70   63  75 2
            71   66  76 1
            72   66  77 2
            73   67  78 1
            74   67  79 2
            75   69  80 1
            76   71  81 1
            77   74  82 1
            78   80  83 1
            79   81  84 1
            80   82  85 1
            81   83  86 1
            82   83  87 1
            83   83  88 2
            84   85  89 1
            85    6   8 1
            86   10  19 2
            87   12  22 1
            88   13  25 2
            89   16  18 1
            90   20  21 1
            91   23  24 1
            92   26  27 1
            93   28  30 1
            94   45  54 1
            95   69  71 1
            96   85  86 1
            97   23  90 1 #Down

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Ontology (6)   
   KEGG BRITE (6)   
Chemical substance (5)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
All databases (11)   

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