KEGG   DRUG: CyanocobalaminHelp
Entry
D00166                      Drug                                   

Name
Cyanocobalamin (JP17/USP/INN);
Cyomin (TN);
Nascobal (TN);
Rubramin PC (TN)
Product
  Generic
  Other
Formula
C63H88CoN14O14P
Exact mass
1354.5674
Mol weight
1355.3652
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C02823
Therapeutic category: 1319 3136
ATC code: B03BA01
Product: D00166<JP/US>
Product (mixture): D04917<JP> D04901<JP> D04935<JP> D04911<JP> D04913<JP> D08830<JP>
Efficacy
Anti-anemic, Hematopoietic, 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)
     B03BA01 Cyanocobalamin
      D00166  Cyanocobalamin (JP17/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D00166  Cyanocobalamin (JP17/USP/INN)
 3  Agents affecting metabolism
  31  Vitamins
   313  Vitamin B preparations
    3136  Vitamin B12 preparations
     D00166  Cyanocobalamin (JP17/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for circulatory system and blood
  24 Anemia drugs
   D00166  Cyanocobalamin (JP17/USP/INN)
 Nourishing tonics and health supplements
  42 Vitamin B1B6B12 based drugs
   D00166  Cyanocobalamin (JP17/USP/INN)
  43 Vitamin containing supplements
   D00166  Cyanocobalamin (JP17/USP/INN)
 Agents for ophthalmologic use
  62 General eye drops
   D00166  Cyanocobalamin (JP17/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Cyanocobalamin
    D00166  Cyanocobalamin (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00166  Cyanocobalamin
  D00166  Cyanocobalamin injection
BRITE hierarchy
Other DBs
CAS: 68-19-9
PubChem: 7847234
ChEBI: 17439
DrugBank: DB00115
NIKKAJI: J203.514F
LinkDB All DBs
KCF data Show

ATOM        93
            1   Z   Co   21.1400  -34.8600 #+
            2   N2x N    19.8100  -33.6000
            3   N1y N    19.8100  -36.2600
            4   N2x N    22.5400  -33.6700
            5   N2x N    22.5400  -36.2600
            6   N5x N    23.3100  -45.0100
            7   C1z C    18.6200  -33.8100
            8   C2y C    20.0900  -32.4100
            9   C1y C    18.6200  -36.1200
            10  C2y C    20.0200  -37.5200
            11  C2y C    22.2600  -32.4100
            12  C2y C    23.8000  -33.7400
            13  C2y C    22.2600  -37.4500
            14  C2y C    23.7300  -36.0500
            15  C8y C    24.4300  -45.3600
            16  C8x C    22.5400  -45.9900
            17  C1z C    18.0600  -32.6900
            18  C1a C    17.4300  -34.1600
            19  C1y C    18.9700  -31.8500
            20  C2y C    21.1400  -31.9900
            21  C1y C    18.0600  -37.1700
            22  C1z C    18.9700  -38.0800
            23  C2y C    21.1400  -37.9400
            24  C1z C    23.3800  -31.8500
            25  C1y C    24.2900  -32.6200
            26  C2x C    24.2200  -34.9300
            27  C1y C    23.3800  -38.0100
            28  C1z C    24.2900  -37.1700
            29  C8y C    24.4300  -46.6200
            30  C8x C    25.4800  -44.8000
            31  N4y N    23.3100  -46.9700
            32  C1b C    15.1900  -32.6900
            33  C1a C    17.7100  -31.5000
            34  C1b C    18.9700  -30.5900
            35  C1a C    21.1400  -30.7300
            36  C1b C    16.7300  -37.3100
            37  C1b C    18.5500  -40.2500
            38  C1a C    19.8100  -40.8100
            39  C1a C    21.1400  -39.2000
            40  C1b C    23.3800  -30.5900
            41  C1a C    21.9800  -29.4700
            42  C1b C    25.5500  -32.6200
            43  C1b C    23.5200  -39.2700
            44  C1a C    25.4800  -36.8900
            45  C1a C    24.7100  -38.3600
            46  C8x C    25.4800  -47.1800
            47  C8y C    26.5300  -45.3600
            48  C1y C    17.7100  -49.1400
            49  C5a C    14.5600  -31.6400
            50  C1b C    17.9200  -29.9600
            51  C5a C    16.3100  -38.5000
            52  C1b C    17.3600  -40.6000
            53  C5a C    24.4300  -29.9600
            54  C1b C    26.1100  -31.5700
            55  C1b C    24.6400  -39.7600
            56  C8y C    26.5300  -46.6200
            57  C1a C    27.5800  -44.8000
            58  C1y C    17.2900  -47.9500
            59  O2x O    16.6600  -49.7700
            60  N1a N    13.3700  -31.5700
            61  O5a O    15.1900  -30.5200
            62  C5a C    17.9200  -28.7000
            63  N1a N    15.0500  -38.6400
            64  O5a O    17.0800  -39.4100
            65  C5a C    17.3600  -41.8600
            66  N1a N    24.4300  -28.7000
            67  O5a O    25.4800  -30.5900
            68  C5a C    27.3700  -31.5700
            69  C5a C    24.7800  -41.0200
            70  C1a C    27.5800  -47.1800
            71  C1y C    16.1000  -47.9500
            72  O1a O    18.0600  -47.0400
            73  C1y C    15.6800  -49.1400
            74  N1a N    16.8700  -28.0700
            75  O5a O    18.9700  -28.0700
            76  N1b N    16.3100  -42.4900
            77  O5a O    18.4100  -42.4900
            78  N1a N    28.0000  -30.4500
            79  O5a O    28.0000  -32.6200
            80  N1a N    23.7300  -41.7200
            81  O5a O    25.9000  -41.5100
            82  O2b O    15.4000  -46.9700
            83  C1b C    14.4900  -49.5600
            84  C1b C    16.3100  -43.7500
            85  P1b P    14.0000  -46.3400
            86  O1a O    14.2100  -50.8200
            87  C1c C    15.1900  -44.4500
            88  O2b O    15.1900  -45.7100
            89  O1c O    12.8800  -45.7100 #-
            90  O1c O    13.0900  -47.3200
            91  C1a C    14.0700  -43.7500
            92  C3b C    25.6900  -34.3700
            93  N3a N    27.0900  -34.3700
BOND        100
            1     1   3 1
            2     2   7 1
            3     2   8 2
            4     3   9 1
            5     3  10 1
            6     4  11 1
            7     4  12 2
            8     5  13 2
            9     5  14 1
            10    6  15 1
            11    6  16 2
            12    7  17 1
            13    7  18 1 #Down
            14    8  19 1
            15    8  20 1
            16    9  21 1
            17   10  22 1
            18   10  23 2
            19   11  24 1
            20   12  25 1
            21   12  26 1
            22   13  27 1
            23   14  28 1
            24   15  29 2
            25   15  30 1
            26   16  31 1
            27   17  32 1 #Up
            28   17  33 1 #Down
            29   19  34 1 #Down
            30   20  35 1
            31   21  36 1 #Up
            32   22  37 1 #Down
            33   22  38 1 #Up
            34   23  39 1
            35   24  40 1 #Up
            36   24  41 1 #Down
            37   25  42 1 #Down
            38   27  43 1 #Down
            39   28  44 1
            40   28  45 1
            41   29  46 1
            42   30  47 2
            43   48  31 1 #Up
            44   32  49 1
            45   34  50 1
            46   36  51 1
            47   37  52 1
            48   40  53 1
            49   42  54 1
            50   43  55 1
            51   46  56 2
            52   47  57 1
            53   48  58 1
            54   48  59 1
            55   49  60 1
            56   49  61 2
            57   50  62 1
            58   51  63 1
            59   51  64 2
            60   52  65 1
            61   53  66 1
            62   53  67 2
            63   54  68 1
            64   55  69 1
            65   56  70 1
            66   58  71 1
            67   58  72 1 #Up
            68   73  59 1
            69   62  74 1
            70   62  75 2
            71   65  76 1
            72   65  77 2
            73   68  78 1
            74   68  79 2
            75   69  80 1
            76   69  81 2
            77   71  82 1 #Up
            78   73  83 1 #Down
            79   76  84 1
            80   82  85 1
            81   83  86 1
            82   84  87 1
            83   85  88 1
            84   85  89 1
            85   85  90 2
            86   87  91 1 #Down
            87    7   9 1
            88   11  20 2
            89   13  23 1
            90   14  26 2
            91   17  19 1
            92   21  22 1
            93   24  25 1
            94   27  28 1
            95   29  31 1
            96   47  56 1
            97   71  73 1
            98   87  88 1
            99   92  93 3
            100   1  92 1

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