KEGG   DRUG: Metoserpate hydrochloride
Entry
D05013                      Drug                                   
Name
Metoserpate hydrochloride (USAN)
Formula
C24H32N2O5. HCl
Exact mass
464.2078
Mol weight
464.98
Structure
Simcomp
Efficacy
Sedative (veterinary)
Other DBs
CAS: 1178-29-6
PubChem: 47206740
LigandBox: D05013
LinkDB
KCF data

ATOM        32
            1   X   Cl   52.2200  -27.6500
            2   C8x C    33.6700  -24.2200
            3   C8y C    33.6700  -25.6200
            4   C8x C    34.8824  -26.3200
            5   C8y C    36.0949  -25.6200
            6   C8y C    36.0949  -24.2200
            7   C8x C    34.8824  -23.5200
            8   N4x N    37.4264  -26.0526
            9   C8y C    38.2493  -24.9200
            10  C8y C    37.4264  -23.7874
            11  C1y C    39.6416  -24.7737
            12  N1y N    40.2110  -23.4947
            13  C1x C    39.3881  -22.3621
            14  C1x C    37.9958  -22.5084
            15  C1x C    40.4645  -25.9063
            16  C1y C    41.8568  -25.7599
            17  C1y C    42.4263  -24.4810
            18  C1x C    41.6034  -23.3483
            19  C1y C    42.6797  -26.8925
            20  C1y C    44.0721  -26.7462
            21  C1y C    44.6415  -25.4672
            22  C1x C    43.8186  -24.3346
            23  O2a O    46.0507  -25.3189
            24  O2a O    44.9014  -27.8880
            25  C7a C    42.1185  -28.1535
            26  O6a O    40.7489  -28.2975
            27  O7a O    42.9423  -29.2873
            28  C1a C    42.3780  -30.5550
            29  C1a C    46.8870  -26.4696
            30  C1a C    46.2652  -27.7442
            31  O2a O    32.4576  -26.3200
            32  C1a C    31.2621  -25.6296
BOND        35
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 2
            10    6  10 1
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   10  14 1
            16   11  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   12  18 1
            21   16  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   17  22 1
            26   21  23 1 #Down
            27   20  24 1 #Down
            28   19  25 1 #Up
            29   25  26 2
            30   25  27 1
            31   27  28 1
            32   23  29 1
            33   24  30 1
            34    3  31 1
            35   31  32 1

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