KEGG   COMPOUND: C07556Help
Entry
C07556                      Compound                               

Name
Rocuronium
Formula
C32H53N2O4
Exact mass
529.4005
Mol weight
529.7742
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 143558-00-3
PubChem: 9759
ChEBI: 8884
ChEMBL: CHEMBL1201244
NIKKAJI: J441.674K
LinkDB All DBs
KCF data Show

ATOM        38
            1   C1y C    28.0000  -19.1100
            2   C1y C    28.0000  -20.5100
            3   C1x C    29.1900  -21.2100
            4   C1y C    30.4500  -20.5100
            5   C1z C    30.4500  -19.1100
            6   C1x C    29.1900  -18.4100
            7   C1x C    31.6400  -21.2100
            8   C1x C    32.8300  -20.5100
            9   C1y C    32.8300  -19.1100
            10  C1y C    31.6400  -18.4100
            11  C1y C    34.0900  -18.4100
            12  C1z C    34.0900  -17.0100
            13  C1x C    32.8300  -16.3100
            14  C1x C    31.6400  -17.0100
            15  C1x C    36.4700  -18.4100
            16  C1y C    36.4700  -17.0100
            17  C1y C    35.2800  -16.3100
            18  O1a O    26.8100  -21.2100
            19  N1y N    26.8100  -18.4100
            20  C1a C    30.4500  -17.7100
            21  C1a C    34.0900  -15.6100
            22  N2y N    37.6600  -16.3100 #+
            23  O7a O    35.2800  -14.5600
            24  C1x C    37.6600  -14.9100
            25  C7a C    34.0900  -13.8600
            26  C1a C    32.9000  -14.5600
            27  O6a O    34.0900  -12.4600
            28  C1x C    38.9900  -16.7300
            29  C1x C    39.8300  -15.6100
            30  C1x C    38.9900  -14.4900
            31  C1b C    37.6600  -17.7100
            32  C2b C    38.8500  -18.4100
            33  C2a C    38.8500  -19.8100
            34  C1x C    26.8100  -17.0100
            35  C1x C    25.5500  -16.3100
            36  O2x O    24.3600  -17.0100
            37  C1x C    24.3600  -18.4100
            38  C1x C    25.5500  -19.1100
BOND        43
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 1 #Down
            22    1  19 1 #Up
            23    5  20 1 #Up
            24   12  21 1 #Up
            25   16  22 1 #Up
            26   17  23 1 #Up
            27   22  24 1
            28   23  25 1
            29   25  26 1
            30   25  27 2
            31   22  28 1
            32   28  29 1
            33   29  30 1
            34   24  30 1
            35   22  31 1
            36   31  32 1
            37   32  33 2
            38   19  34 1
            39   34  35 1
            40   35  36 1
            41   36  37 1
            42   37  38 1
            43   19  38 1

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