KEGG   COMPOUND: C13974
Entry
C13974                      Compound                               
Name
Vincristine sulfate
Formula
C46H56N4O10. H2SO4
Exact mass
922.367
Mol weight
923.0361
Structure
Remark
Same as: D02197
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
    L01CA Vinca alkaloids and analogues
     L01CA02 Vincristine
      D02197  Vincristine sulfate (JP18/USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   424  Plant extract preparations
    4240  Plant extract preparations
     D02197  Vincristine sulfate (JP18/USP)
Drug groups [BR:br08330]
 Antineoplastic
  DG01965  Vinca alkaloid antineoplastic
   DG00690  Vincristine
    D02197  Vincristine sulfate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00690  Vincristine
    D02197  Vincristine sulfate
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D02197  Vincristine sulfate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02197  Vincristine sulfate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02197
Other DBs
CAS: 2068-78-2
PubChem: 854215
ChEBI: 79401
KCF data

ATOM        65
            1   S4a S    33.6233  -14.9333
            2   O1d O    33.6233  -13.5333
            3   O1d O    33.6233  -16.3333
            4   O1d O    35.0233  -14.9333
            5   O1d O    32.2233  -14.9333
            6   C1z C    27.3669  -19.9991
            7   C1y C    28.4975  -19.3324
            8   C1y C    27.3727  -21.3039
            9   C8y C    25.1171  -19.9991
            10  C1x C    26.5320  -18.9207
            11  C1z C    29.6400  -19.9934
            12  N1y N    28.4859  -18.0103
            13  C1z C    28.5091  -21.9533
            14  N1y N    26.2362  -21.9533
            15  C8y C    25.1171  -21.3039
            16  C8x C    23.9805  -19.3497
            17  C1x C    27.1930  -18.0050
            18  C1y C    29.5816  -21.3097
            19  C2x C    30.7707  -19.3208
            20  C1b C    30.7359  -20.6255
            21  C1x C    29.6341  -17.3493
            22  C7a C    29.4022  -23.1321
            23  O1a O    28.0163  -23.8553
            24  C4a C    25.5926  -23.0491
            25  C8x C    23.9805  -21.9592
            26  C8y C    22.8730  -19.9934
            27  O7a O    32.0832  -22.1576
            28  C2x C    30.7764  -17.9987
            29  C1a C    31.8491  -19.9877
            30  O7a O    29.3914  -24.4020
            31  C8y C    22.8730  -21.3039
            32  C1z C    20.3781  -17.6139
            33  C7a C    33.3647  -22.2160
            34  C1a C    28.2251  -25.1267
            35  O2a O    21.7597  -21.9417
            36  C8y C    19.2533  -16.8543
            37  C1x C    21.6421  -16.8776
            38  C7a C    20.0186  -18.9129
            39  C1a C    33.9968  -21.0853
            40  O6a O    34.0200  -23.3118
            41  C1a C    20.6465  -21.2922
            42  C8y C    19.2533  -15.5091
            43  N4x N    18.1283  -17.5270
            44  C1y C    21.6421  -15.5903
            45  O7a O    18.5807  -19.3710
            46  O6a O    20.8477  -19.9451
            47  C8y C    16.9396  -15.5091
            48  C1x C    18.5284  -14.4073
            49  C8y C    16.9396  -16.8543
            50  C1x C    20.5057  -14.9757
            51  C1x C    22.7260  -14.7727
            52  C1a C    17.7108  -20.7916
            53  C8x C    15.7973  -14.8424
            54  C1x C    19.2995  -13.4216
            55  C8x C    15.7973  -17.5270
            56  N1y N    20.5057  -13.7347
            57  C1z C    22.7671  -13.6305
            58  C8x C    14.7188  -15.5091
            59  C8x C    14.7188  -16.8543
            60  C1x C    21.6364  -12.9810
            61  C1b C    24.2748  -14.1581
            62  O1a O    23.6079  -12.3373
            63  C1a C    25.3358  -13.5203
            64  O6a O    30.7076  -22.5998
            65  O4a O    24.2200  -23.0385
BOND        72
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     6   7 1
            6     6   8 1
            7     6   9 1
            8     6  10 1 #Up
            9     7  11 1
            10    7  12 1
            11    8  13 1
            12    8  14 1
            13    9  15 2
            14    9  16 1
            15   10  17 1
            16   11  18 1
            17   11  19 1
            18   11  20 1 #Down
            19   12  21 1
            20   13  22 1 #Down
            21   13  23 1 #Up
            22   14  24 1
            23   15  25 1
            24   16  26 2
            25   18  27 1 #Up
            26   19  28 2
            27   20  29 1
            28   22  30 1
            29   25  31 2
            30   32  26 1 #Down
            31   27  33 1
            32   30  34 1
            33   31  35 1
            34   32  36 1
            35   32  37 1
            36   32  38 1 #Up
            37   33  39 1
            38   33  40 2
            39   35  41 1
            40   36  42 2
            41   36  43 1
            42   37  44 1
            43   38  45 1
            44   38  46 2
            45   42  47 1
            46   42  48 1
            47   43  49 1
            48   44  50 1 #Down
            49   44  51 1
            50   45  52 1
            51   47  53 1
            52   48  54 1
            53   49  55 1
            54   56  50 1 #Down
            55   51  57 1
            56   53  58 2
            57   55  59 2
            58   56  60 1
            59   57  61 1 #Down
            60   57  62 1 #Up
            61   61  63 1
            62   12  17 1
            63   13  18 1
            64   14  15 1
            65   21  28 1
            66   26  31 1
            67   47  49 2
            68   54  56 1
            69   57  60 1
            70   58  59 1
            71   22  64 2
            72   24  65 2

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