KEGG   DRUG: D02401Help
Entry
D02401                      Drug                                   

Name
Betadex (NF/INN)
Formula
C42H70O35
Exact mass
1134.3698
Mol weight
1134.9842
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Pharmaceutic aid [sequestering agent]
Remark
Same as: 
Brite
Pharmaceutical additives [BR:br08316]
 Stabilizing agent
  D02401  [108572] beta-Cyclodextrin
 Diluting agent
  D02401  [108572] beta-Cyclodextrin
 Solubilization agent
  D02401  [108572] beta-Cyclodextrin
BRITE hierarchy
Other DBs
CAS: 
7585-39-9
PubChem: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        77
            1   C1y C    33.4888  -20.3494
            2   C1y C    32.1005  -20.3494
            3   O2x O    31.4176  -21.5321
            4   C1y C    32.1004  -22.7849
            5   C1y C    33.4887  -22.7150
            6   C1y C    34.1716  -21.5322
            7   C1y C    21.2871  -20.3497
            8   C1y C    20.5951  -21.5463
            9   C1y C    21.2773  -22.7295
            10  C1y C    22.6431  -22.7304
            11  C1y C    23.3349  -21.5338
            12  O2x O    22.6528  -20.3506
            13  C1y C    32.1206  -15.6025
            14  C1y C    31.4378  -16.7853
            15  O2x O    32.1206  -17.9681
            16  C1y C    33.4864  -17.9681
            17  C1y C    34.1693  -16.7853
            18  C1y C    33.4864  -15.6025
            19  C1y C    22.6543  -15.6025
            20  C1y C    21.2885  -15.6025
            21  C1y C    20.6056  -16.7853
            22  C1y C    21.2885  -17.9681
            23  C1y C    22.6543  -17.9681
            24  O2x O    23.3372  -16.7853
            25  C1y C    23.8371  -12.1882
            26  C1y C    23.8371  -13.5540
            27  C1y C    25.0199  -14.2369
            28  O2x O    26.2028  -13.5540
            29  C1y C    26.2028  -12.1882
            30  C1y C    25.0199  -11.5053
            31  C1b C    27.3855  -14.2369
            32  C1y C    28.5683  -13.5540
            33  C1y C    28.5683  -12.1882
            34  O2a O    27.3855  -11.5053
            35  O2x O    29.7511  -14.2369
            36  C1y C    30.9339  -13.5540
            37  C1y C    30.9339  -12.1882
            38  C1y C    29.7511  -11.5053
            39  O1a O    22.6544  -11.5053
            40  O1a O    29.7511  -10.1399
            41  O1a O    25.0199  -10.1398
            42  O2a O    22.6544  -14.2369
            43  O1a O    32.1206  -11.5031
            44  O2a O    32.1206  -14.2391
            45  O1a O    27.3855  -15.6026
            46  O1a O    35.5143  -16.7849
            47  O2a O    34.1749  -19.1600
            48  O1a O    20.6114  -14.4294
            49  O2a O    20.6004  -19.1594
            50  O1a O    19.2620  -16.7849
            51  C1b C    23.3532  -19.1789
            52  C1b C    25.0199  -16.0173
            53  C1b C    30.0516  -16.7856
            54  O1a O    34.1639  -14.4288
            55  O1a O    26.1863  -16.6908
            56  O1a O    29.3785  -17.9520
            57  O1a O    24.7247  -19.1792
            58  O1a O    19.2618  -21.5454
            59  O2a O    23.3222  -23.9080
            60  O2a O    31.4219  -23.8902
            61  O1a O    34.1611  -23.8802
            62  C1b C    24.7249  -21.5345
            63  O1a O    20.6131  -23.8790
            64  C1b C    31.4318  -19.1917
            65  O1a O    35.5145  -21.5324
            66  O1a O    30.0517  -19.1918
            67  O1a O    25.4044  -20.3590
            68  C1y C    26.6683  -23.9080
            69  O2x O    27.3544  -25.0960
            70  C1y C    28.7202  -25.0958
            71  C1y C    29.4029  -23.9130
            72  C1y C    28.7168  -22.7250
            73  C1y C    27.3510  -22.7251
            74  O1a O    29.4003  -21.5408
            75  C1b C    29.4107  -26.2923
            76  O1a O    26.6517  -21.5135
            77  O1a O    30.8022  -26.2918
BOND        84
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    7  12 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   13  18 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   19  24 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   25  30 1
            31   32  31 1 #Down
            32   32  33 1
            33   33  34 1 #Up
            34   29  34 1 #Up
            35   32  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   33  38 1
            40   25  39 1 #Down
            41   38  40 1 #Down
            42   30  41 1 #Up
            43   26  42 1 #Up
            44   37  43 1 #Up
            45   36  44 1 #Up
            46   31  45 1
            47   19  42 1 #Up
            48   13  44 1 #Up
            49   17  46 1 #Up
            50   16  47 1 #Up
            51   20  48 1 #Up
            52   22  49 1 #Up
            53   21  50 1 #Down
            54   23  51 1 #Down
            55   27  52 1 #Down
            56   14  53 1 #Down
            57   18  54 1 #Down
            58   52  55 1
            59   53  56 1
            60   51  57 1
            61    7  49 1 #Up
            62    1  47 1 #Up
            63    8  58 1 #Up
            64   10  59 1 #Up
            65    4  60 1 #Up
            66    5  61 1 #Up
            67   11  62 1 #Down
            68    9  63 1 #Down
            69    2  64 1 #Down
            70    6  65 1 #Down
            71   64  66 1
            72   62  67 1
            73   68  69 1
            74   69  70 1
            75   70  71 1
            76   71  72 1
            77   72  73 1
            78   68  73 1
            79   71  60 1 #Down
            80   68  59 1 #Down
            81   72  74 1 #Up
            82   70  75 1 #Up
            83   73  76 1 #Down
            84   75  77 1

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