KEGG   DRUG: Hydroxocobalamin hydrochloride
Entry
D04929                      Drug                                   
Name
Hydroxocobalamin hydrochloride (JAN)
Formula
C62H89CoN13O15P. HCl
Exact mass
1381.5437
Mol weight
1382.8161
Structure
Simcomp
Remark
ATC code: B03BA03 V03AB33
Chemical structure group: DG00175
Product (DG00175): D01027<US> D02707<JP/US>
Efficacy
Anti-anemic, Hematopoietic, Supplement (vitamin B12)
Interaction
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)
     B03BA03 Hydroxocobalamin
      D04929  Hydroxocobalamin hydrochloride (JAN)
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB33 Hydroxocobalamin
      D04929  Hydroxocobalamin hydrochloride (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Cyanocobalamin
    D04929  Hydroxocobalamin hydrochloride (JAN)
Other DBs
CAS: 59461-30-2
PubChem: 47206681
LinkDB
KCF data

ATOM        93
            1   C1y C    26.8181  -15.2898
            2   C1z C    26.8181  -12.8474
            3   C1y C    26.2599  -16.4064
            4   N1y N    28.0742  -15.4294
            5   C1z C    26.2599  -11.7309
            6   N2x N    28.1440  -12.7079
            7   C1a C    25.5620  -13.1964
            8   C1z C    27.1670  -17.3135
            9   C1b C    24.7944  -16.4064
            10  C2y C    28.3534  -16.7553
            11  Z   Co   29.2605  -13.9640
            12  C1y C    27.1670  -10.7540
            13  C1b C    24.9340  -11.6611
            14  C1a C    25.9110  -10.4050
            15  C2y C    28.3534  -11.3820
            16  C1b C    27.1670  -18.6394
            17  C1a C    28.4231  -17.6625
            18  C5a C    24.3757  -17.6625
            19  C2y C    29.5397  -17.1740
            20  O1a O    28.3534   -9.9863
            21  C1b C    27.1670   -9.4979
            22  C5a C    24.3059  -10.5446
            23  C2y C    29.5397  -10.9633
            24  C1b C    25.9807  -19.3373
            25  N1a N    23.0499  -17.8718
            26  O5a O    25.1433  -18.6394
            27  C2y C    30.6562  -16.6855
            28  C1a C    29.4699  -18.4999
            29  C1b C    26.0505   -8.8000
            30  N1a N    22.9801  -10.5446
            31  O5a O    24.9340   -9.4281
            32  C2y C    30.6562  -11.4518
            33  C1a C    29.4699   -9.6374
            34  C5a C    25.9807  -20.5933
            35  C1y C    31.8425  -17.3135
            36  N2x N    30.9353  -15.4294
            37  C5a C    26.1203   -7.5439
            38  C1z C    31.7727  -10.8237
            39  N2x N    30.9353  -12.7079
            40  N1b N    24.8642  -21.2214
            41  O5a O    27.0973  -21.2912
            42  C1z C    32.7497  -16.4064
            43  C1b C    31.9123  -18.6394
            44  C2y C    32.1914  -15.2898
            45  N1a N    24.9340   -6.9159
            46  O5a O    27.2368   -6.9159
            47  C1y C    32.7497  -11.6611
            48  C1b C    31.7727   -9.4979
            49  C1a C    30.5166  -10.4748
            50  C2y C    32.2612  -12.8474
            51  C1b C    24.8642  -22.6170
            52  C1a C    34.0058  -16.0575
            53  C1a C    33.2382  -17.6625
            54  C1b C    33.1684  -19.1279
            55  C2x C    32.7497  -14.0337
            56  C1b C    34.0756  -11.6611
            57  C5a C    32.8892   -8.8000
            58  C1c C    23.6779  -23.2451
            59  C5a C    33.2382  -20.4538
            60  C1b C    34.7036  -10.4748
            61  N1a N    32.8892   -7.5439
            62  O5a O    34.0756   -9.4979
            63  O2b O    23.6779  -24.6408
            64  C1a C    22.5614  -22.6170
            65  N1a N    32.1914  -21.2214
            66  O5a O    34.4245  -21.0120
            67  C5a C    36.0295  -10.4748
            68  P1b P    22.4916  -25.3386
            69  N1a N    36.6575   -9.3583
            70  O5a O    36.6575  -11.6611
            71  O2b O    23.9570  -25.9666
            72  O1c O    21.5146  -26.3155
            73  O1c O    21.3053  -24.6408 #-
            74  C1y C    24.7246  -27.0134
            75  C1y C    24.3059  -28.1997
            76  C1y C    25.9807  -27.0134
            77  O2x O    25.2829  -28.8975
            78  C1b C    22.8405  -28.6882
            79  C1y C    26.3994  -28.1997
            80  O1a O    26.7484  -25.9666
            81  O1a O    22.5614  -30.1536
            82  N4y N    30.9353  -24.9897
            83  C8y C    32.1216  -24.5710
            84  C8x C    30.1677  -23.9429
            85  C8y C    32.1216  -23.3149
            86  C8x C    33.2382  -25.1990
            87  N5x N    30.9353  -22.8962
            88  C8x C    33.2382  -22.6868
            89  C8y C    34.3547  -24.5710
            90  C8y C    34.3547  -23.3149
            91  C1a C    35.4712  -25.1990
            92  C1a C    35.4712  -22.6868
            93  X   Cl   39.2000  -19.5300
BOND        99
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    5  14 1 #Down
            14    6  15 2
            15    8  16 1 #Down
            16    8  17 1 #Up
            17    9  18 1
            18   10  19 2
            19   11  20 1
            20   12  21 1 #Down
            21   13  22 1
            22   15  23 1
            23   16  24 1
            24   18  25 1
            25   18  26 2
            26   19  27 1
            27   19  28 1
            28   21  29 1
            29   22  30 1
            30   22  31 2
            31   23  32 2
            32   23  33 1
            33   24  34 1
            34   27  35 1
            35   27  36 2
            36   29  37 1
            37   32  38 1
            38   32  39 1
            39   34  40 1
            40   34  41 2
            41   35  42 1
            42   35  43 1 #Down
            43   36  44 1
            44   37  45 1
            45   37  46 2
            46   38  47 1
            47   38  48 1 #Up
            48   38  49 1 #Down
            49   39  50 2
            50   40  51 1
            51   42  52 1
            52   42  53 1
            53   43  54 1
            54   44  55 2
            55   47  56 1 #Down
            56   48  57 1
            57   51  58 1
            58   54  59 1
            59   56  60 1
            60   57  61 1
            61   57  62 2
            62   58  63 1
            63   58  64 1 #Up
            64   59  65 1
            65   59  66 2
            66   60  67 1
            67   63  68 1
            68   67  69 1
            69   67  70 2
            70   68  71 1
            71   68  72 2
            72   68  73 1
            73   74  71 1 #Up
            74   74  75 1
            75   74  76 1
            76   75  77 1
            77   75  78 1 #Down
            78   76  79 1
            79   76  80 1 #Up
            80   78  81 1
            81   79  82 1 #Up
            82   82  83 1
            83   82  84 1
            84   83  85 2
            85   83  86 1
            86   84  87 2
            87   85  88 1
            88   86  89 2
            89   88  90 2
            90   89  91 1
            91   90  92 1
            92    8  10 1
            93   12  15 1
            94   42  44 1
            95   47  50 1
            96   50  55 1
            97   77  79 1
            98   85  87 1
            99   89  90 1

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