KEGG   DRUG: RutosideHelp
Entry
D08499                      Drug                                   

Name
Rutoside (INN);
Rutin;
Venoruton (TN)
Formula
C27H30O16
Exact mass
610.1534
Mol weight
610.5175
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C05625
ATC code: C05CA01
Chemical structure group: DG00302
Efficacy
Vascular protectant
Comment
Bioflavonoid
Drug acting on the complex of varicose symptoms
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05C CAPILLARY STABILIZING AGENTS
    C05CA Bioflavonoids
     C05CA01 Rutoside
      D08499  Rutoside (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Rutin
    D08499  Rutoside (INN)
BRITE hierarchy
Other DBs
CAS: 153-18-4
PubChem: 96025184
ChEBI: 28527
ChEMBL: CHEMBL226335
DrugBank: DB01698
PDB-CCD: RUT[PDBj]
LigandBox: D08499
NIKKAJI: J818D
LinkDB All DBs
KCF data Show

ATOM        43
            1   C8y C    19.1800  -14.8400
            2   C8x C    19.1800  -16.2400
            3   C8y C    20.3700  -16.9400
            4   C8x C    20.3700  -14.1400
            5   C8y C    21.5600  -14.8400
            6   C8y C    21.5600  -16.2400
            7   C8y C    22.7500  -16.9400
            8   C8y C    24.0100  -16.2400
            9   C8y C    24.0100  -14.8400
            10  O2x O    22.8200  -14.1400
            11  C8y C    25.2000  -14.1400
            12  C8x C    26.3900  -14.8400
            13  C8y C    27.5800  -14.2100
            14  C8y C    27.5800  -12.8100
            15  C8x C    26.3900  -12.1100
            16  C8x C    25.2000  -12.8100
            17  O1a O    20.3700  -18.3400
            18  O1a O    17.9900  -14.1400
            19  O5x O    22.7500  -18.3400
            20  O1a O    28.7700  -12.1100
            21  O1a O    28.7700  -14.8400
            22  O2a O    25.3400  -16.9400
            23  C1y C    26.8100  -18.2700
            24  O2x O    26.8100  -19.6000
            25  C1y C    28.0000  -20.3000
            26  C1y C    29.1900  -19.6000
            27  C1y C    29.1900  -18.2700
            28  C1y C    28.0000  -17.5700
            29  O1a O    28.0000  -16.1700
            30  O1a O    30.3800  -17.5700
            31  O1a O    30.3800  -20.3000
            32  C1b C    27.9300  -21.7000
            33  O2a O    26.7400  -22.4000
            34  C1y C    25.5500  -21.7000
            35  O2x O    25.5500  -20.3000
            36  C1y C    24.3600  -19.6000
            37  C1y C    23.1700  -20.3000
            38  C1y C    23.1700  -21.7000
            39  C1y C    24.3600  -22.4000
            40  C1a C    24.3600  -18.2000
            41  O1a O    21.9800  -19.6000
            42  O1a O    21.9800  -22.4000
            43  O1a O    24.3600  -23.8000
BOND        47
            1     9  10 1
            2    13  21 1
            3    10   5 1
            4     8  22 1
            5    23  22 1 #Up
            6     9  11 1
            7     1   2 2
            8     2   3 1
            9     3   6 2
            10    5   4 2
            11   23  24 1
            12   24  25 1
            13   25  26 1
            14   26  27 1
            15   27  28 1
            16   28  23 1
            17    4   1 1
            18   28  29 1 #Down
            19   11  12 2
            20   27  30 1 #Up
            21   12  13 1
            22   26  31 1 #Down
            23   13  14 2
            24   25  32 1 #Up
            25   14  15 1
            26   32  33 1
            27   15  16 2
            28   34  33 1 #Up
            29   16  11 1
            30    5   6 1
            31    3  17 1
            32    6   7 1
            33    1  18 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  34 1
            40    7   8 1
            41   36  40 1 #Down
            42    7  19 2
            43   37  41 1 #Up
            44    8   9 2
            45   38  42 1 #Down
            46   14  20 1
            47   39  43 1 #Down

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