KEGG   DRUG: Bamethan sulfate
Entry
D01673                      Drug                                   
Name
Bamethan sulfate (JP18/USAN)
Formula
(C12H20NO2)2. SO4
Exact mass
516.2505
Mol weight
516.65
Structure
Simcomp
Remark
ATC code: C04AA31
Chemical structure group: DG00279
Efficacy
Vasodilator
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AA 2-amino-1-phenylethanol derivatives
     C04AA31 Bamethan
      D01673  Bamethan sulfate (JP18/USAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01673  Bamethan sulfate
Other DBs
CAS: 5716-20-1
PubChem: 7848736
ChEBI: 31251
LigandBox: D01673
NIKKAJI: J349.764J
LinkDB
KCF data

ATOM        35
            1   C8y C    16.6021  -17.2884
            2   C8x C    16.6021  -18.6901
            3   C8x C    15.3852  -19.3910
            4   C8y C    14.1755  -18.6901
            5   C8x C    14.1755  -17.2884
            6   C8x C    15.3852  -16.5875
            7   O1a O    12.9612  -19.3901
            8   C1c C    17.8127  -16.5875
            9   C1b C    19.0233  -17.2814
            10  N1b N    20.2339  -16.5805 #+
            11  C1b C    21.4445  -17.2743
            12  C1b C    22.6551  -16.5734
            13  C1b C    23.8657  -17.2671
            14  C1a C    25.0763  -16.5663
            15  O1a O    17.8097  -15.1858
            16  S4a S    31.0946  -17.6990
            17  O1d O    31.0874  -16.2973
            18  O1d O    31.0874  -19.1008
            19  O1d O    32.4963  -17.6990 #-
            20  O1d O    29.6928  -17.6990 #-
            21  C8y C    16.6021  -17.2884
            22  C1c C    17.8127  -16.5875
            23  C1b C    19.0233  -17.2814
            24  N1b N    20.2339  -16.5805 #+
            25  C1b C    21.4445  -17.2743
            26  C1b C    22.6551  -16.5734
            27  C1b C    23.8657  -17.2671
            28  C1a C    25.0763  -16.5663
            29  O1a O    17.8097  -15.1858
            30  C8x C    16.6021  -18.6901
            31  C8x C    15.3852  -19.3910
            32  C8y C    14.1755  -18.6901
            33  C8x C    14.1755  -17.2884
            34  C8x C    15.3852  -16.5875
            35  O1a O    12.9612  -19.3901
BOND        34
            1    16  17 2
            2    16  18 2
            3    16  19 1
            4    16  20 1
            5     1   8 1
            6     8   9 1
            7     1   2 2
            8     9  10 1
            9     2   3 1
            10   10  11 1
            11    3   4 2
            12   11  12 1
            13    4   5 1
            14   12  13 1
            15    5   6 2
            16   13  14 1
            17    6   1 1
            18    8  15 1
            19    4   7 1
            20   21  22 1
            21   22  23 1
            22   21  30 2
            23   23  24 1
            24   30  31 1
            25   24  25 1
            26   31  32 2
            27   25  26 1
            28   32  33 1
            29   26  27 1
            30   33  34 2
            31   27  28 1
            32   34  21 1
            33   22  29 1
            34   32  35 1
BRACKET     1    10.9900  -20.5100   10.9900  -13.4400
            1    27.3700  -13.4400   27.3700  -20.5100
            1  2
 ORIGINAL  1    1   8   9  10  11  12  13  14  15   2   3   4   5   6   7
 REPEAT    1   21  22  23  24  25  26  27  28  29  30  31  32  33  34  35

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