KEGG   DRUG: Xanthinol niacinateHelp
Entry
D06334                      Drug                                   

Name
Xanthinol niacinate (USAN);
Xantinol nicotinate;
Complamin (TN)
Formula
C13H21N5O4. C6H5NO2
Exact mass
434.1914
Mol weight
434.4463
Structure
Mol fileKCF fileDB search
Class
Other
 DG01616  Xanthine derivative
  DG01614  Xanthine-type vasodilator
Remark
ATC code: C04AD02
Efficacy
Vasodilator (peripheral)
Comment
Xanthine derivative
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AD Purine derivatives
     C04AD02 Xantinol nicotinate
      D06334  Xanthinol niacinate (USAN)
BRITE hierarchy
Other DBs
CAS: 437-74-1
PubChem: 47207991
ChEMBL: CHEMBL1560089
LigandBox: D06334
NIKKAJI: J260.427B
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8y C    24.3600  -25.3400
            2   C8x C    23.1000  -24.6400
            3   C8x C    24.3600  -26.7400
            4   C6a C    25.5500  -24.6400
            5   C8x C    21.9100  -25.4100
            6   N5x N    23.1000  -27.5100
            7   O6a O    26.7400  -25.3400
            8   O6a O    25.5500  -23.2400
            9   C8x C    21.9100  -26.8100
            10  C8y C    17.7800  -26.6700
            11  N4y N    17.7800  -25.2000
            12  C8y C    16.5200  -24.5000
            13  C8y C    15.3300  -25.2000
            14  C8y C    15.3300  -26.6700
            15  N4y N    16.5200  -27.3700
            16  N4y N    14.0000  -24.7800
            17  C8x C    13.1600  -25.9000
            18  N5x N    14.0000  -27.0900
            19  O5x O    18.9700  -27.3700
            20  O5x O    16.5200  -23.1000
            21  C1a C    16.5200  -28.7700
            22  C1a C    18.9700  -24.5000
            23  C1b C    14.0000  -23.3800
            24  C1c C    12.7400  -22.6800
            25  C1b C    11.5500  -23.3800
            26  O1a O    12.7400  -21.2800
            27  N1c N    10.3600  -22.6800
            28  C1b C     9.1700  -23.3800
            29  C1b C     7.9800  -22.6800
            30  O1a O     6.7900  -23.3800
            31  C1a C    10.3600  -21.2800
BOND        32
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     6   9 2
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   10  15 1
            16   13  16 1
            17   16  17 1
            18   17  18 2
            19   14  18 1
            20   10  19 2
            21   12  20 2
            22   15  21 1
            23   11  22 1
            24   16  23 1
            25   23  24 1
            26   24  25 1
            27   24  26 1
            28   25  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   27  31 1

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