KEGG   DRUG: Imisopasem manganese
Entry
D06607                      Drug                                   
Name
Imisopasem manganese (USAN/INN)
Formula
C21H35N5. Mn. 2Cl
Exact mass
482.1650
Mol weight
483.38
Structure
Efficacy
Analgesic, Anti-inflammatory
Comment
Relief of pain and inflammation
Superoxide dismutase mimetic
Other DBs
CAS: 218791-21-0
PubChem: 47208258
ChEBI: 232553
LigandBox: D06607
LinkDB
KCF data

ATOM        29
            1   C8x C    25.2000  -13.7900
            2   C8y C    25.2000  -15.1900
            3   N5x N    26.3900  -15.8900
            4   C8y C    27.6500  -15.1900
            5   C8x C    27.6500  -13.7900
            6   C8x C    26.3900  -13.0900
            7   C1x C    28.8400  -15.8900
            8   C1x C    24.0100  -15.8900
            9   C1y C    23.3800  -18.5500
            10  C1x C    22.1200  -17.9900
            11  C1x C    21.0000  -18.8300
            12  C1x C    21.1400  -20.2300
            13  C1x C    22.4700  -20.7900
            14  C1y C    23.5900  -19.9500
            15  C1y C    29.4700  -18.5500
            16  C1x C    30.7300  -17.9900
            17  C1x C    31.8500  -18.8300
            18  C1x C    31.7100  -20.2300
            19  C1x C    30.3800  -20.7900
            20  C1y C    29.2600  -19.9500
            21  N1x N    24.0100  -17.2900
            22  N1x N    28.8400  -17.2900
            23  N1x N    24.6053  -21.1812
            24  N1x N    28.3147  -21.1812
            25  C1x C    25.1781  -22.5048
            26  C1x C    27.8811  -22.5021
            27  Z   Mn   25.9000  -19.0400 #2+
            28  X   Cl   24.6400  -25.7600 #-
            29  X   Cl   27.9300  -25.7600 #-
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     2   8 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14    9  14 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   15  20 1
            21    8  21 1
            22    9  21 1 #Up
            23    7  22 1
            24   15  22 1 #Down
            25   14  23 1 #Down
            26   20  24 1 #Up
            27   23  25 1
            28   24  26 1
            29   25  26 1

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