KEGG   DRUG: Inositol niacinateHelp
Entry
D01813                      Drug                                   

Name
Inositol niacinate (USAN);
Inositol nicotinate (INN);
Inositol hexanicotinate (JAN);
Palohex (TN)
Formula
C42H30N6O12
Exact mass
810.1922
Mol weight
810.7206
Structure
Mol fileKCF fileDB search
Remark
ATC code: C04AC03
Efficacy
Vasodilator (peripheral)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AC Nicotinic acid and derivatives
     C04AC03 Inositol nicotinate
      D01813  Inositol niacinate (USAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Inositol hexanicotinate
    D01813  Inositol niacinate (USAN)
BRITE hierarchy
Other DBs
CAS: 6556-11-2
PubChem: 7848875
ChEBI: 31699
ChEMBL: CHEMBL1094982
LigandBox: D01813
NIKKAJI: J3.420G
LinkDB All DBs
KCF data Show

ATOM        60
            1   C1y C     7.8400  -16.1000
            2   C1y C     7.8400  -17.5000
            3   C1y C     9.0524  -18.2000
            4   C1y C    10.2649  -17.5000
            5   C1y C    10.2649  -16.1000
            6   C1y C     9.0524  -15.4000
            7   O7a O     6.6276  -15.4000
            8   C7a C     5.4151  -16.1000
            9   O6a O     5.4151  -17.5000
            10  O7a O     6.6276  -18.2000
            11  O7a O     9.0524  -14.0000
            12  C7a C     7.8400  -13.3000
            13  O6a O     6.6276  -14.0000
            14  O7a O    11.4773  -15.4000
            15  C7a C    11.4773  -14.0000
            16  O6a O    10.2649  -13.3000
            17  O7a O    11.4773  -18.2000
            18  C7a C    12.6897  -17.5000
            19  O6a O    12.6897  -16.1000
            20  O7a O     9.0524  -19.6000
            21  C7a C    10.2649  -20.3000
            22  O6a O    11.4773  -19.6000
            23  C7a C     6.6276  -19.6000
            24  O6a O     7.8400  -20.3000
            25  C8y C     7.8400  -11.9000
            26  C8x C     9.0524  -11.2000
            27  C8x C     9.0524   -9.8000
            28  C8x C     7.8400   -9.1000
            29  N5x N     6.6276   -9.8000
            30  C8x C     6.6276  -11.2000
            31  C8y C    12.6918  -13.2988
            32  C8x C    13.8883  -13.9898
            33  C8x C    15.1008  -13.2899
            34  C8x C    15.1009  -11.8899
            35  N5x N    13.9044  -11.1990
            36  C8x C    12.6919  -11.8988
            37  C8y C    13.8873  -18.1915
            38  C8x C    13.8873  -19.5997
            39  C8x C    15.0998  -20.2997
            40  C8x C    16.3122  -19.5997
            41  N5x N    16.3122  -18.1915
            42  C8x C    15.0997  -17.4915
            43  C8y C    10.2649  -21.6998
            44  C8x C     9.0713  -22.3891
            45  C8x C     9.0715  -23.7891
            46  C8x C    10.2841  -24.4889
            47  N5x N    11.4776  -23.7996
            48  C8x C    11.4774  -22.3996
            49  C8y C     5.4321  -20.2904
            50  C8x C     4.2447  -19.6049
            51  C8x C     3.0323  -20.3050
            52  C8x C     3.0324  -21.7050
            53  N5x N     4.2197  -22.3904
            54  C8x C     5.4321  -21.6904
            55  C8y C     4.1840  -15.3890
            56  C8x C     4.1843  -14.0001
            57  C8x C     2.9720  -13.2998
            58  C8x C     1.7594  -13.9995
            59  N5x N     1.7591  -15.3884
            60  C8x C     2.9714  -16.0887
BOND        66
            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     1   7 1 #Up
            8     7   8 1
            9     8   9 2
            10    2  10 1 #Up
            11    6  11 1 #Down
            12   11  12 1
            13   12  13 2
            14    5  14 1 #Up
            15   14  15 1
            16   15  16 2
            17    4  17 1 #Down
            18   17  18 1
            19   18  19 2
            20    3  20 1 #Up
            21   20  21 1
            22   21  22 2
            23   10  23 1
            24   23  24 2
            25   12  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   28  29 1
            30   29  30 2
            31   25  30 1
            32   15  31 1
            33   31  32 2
            34   32  33 1
            35   33  34 2
            36   34  35 1
            37   35  36 2
            38   31  36 1
            39   18  37 1
            40   37  38 2
            41   38  39 1
            42   39  40 2
            43   40  41 1
            44   41  42 2
            45   37  42 1
            46   21  43 1
            47   43  44 2
            48   44  45 1
            49   45  46 2
            50   46  47 1
            51   47  48 2
            52   43  48 1
            53   23  49 1
            54   49  50 2
            55   50  51 1
            56   51  52 2
            57   52  53 1
            58   53  54 2
            59   49  54 1
            60    8  55 1
            61   55  56 2
            62   56  57 1
            63   57  58 2
            64   58  59 1
            65   59  60 2
            66   55  60 1

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