KEGG   COMPOUND: C07554Help
Entry
C07554                      Compound                               

Name
Pipecuronium
Formula
C35H62N4O4
Exact mass
602.4771
Mol weight
602.8912
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 68399-58-6
PubChem: 9757
ChEBI: 8230
ChEMBL: CHEMBL1201206
NIKKAJI: J269.460C
LinkDB All DBs
KCF data Show

ATOM        43
            1   C1y C    26.3949  -19.5881
            2   C1y C    25.2172  -20.2702
            3   C1z C    26.4125  -18.2294
            4   C1x C    28.7565  -19.6171
            5   C1y C    24.0452  -19.5705
            6   C1x C    25.2172  -21.6346
            7   C1y C    27.6019  -17.5647
            8   C1x C    25.2403  -17.5356
            9   C1a C    26.4416  -16.9292
            10  C1y C    28.7739  -18.2586
            11  C1z C    22.7856  -20.2528
            12  C1x C    24.0567  -18.2120
            13  C1x C    24.0335  -22.3110
            14  O7a O    27.6836  -15.9028
            15  N1y N    29.9635  -17.5880
            16  C1y C    22.8498  -21.6289
            17  C1x C    21.6719  -19.5647
            18  C1a C    22.8439  -18.9350
            19  C7a C    26.5057  -15.1973
            20  C1x C    31.1355  -18.2877
            21  C1x C    29.9750  -16.2295
            22  C1x C    21.6719  -22.3052
            23  C1y C    20.4942  -20.2528
            24  C1a C    25.3162  -15.8737
            25  O6a O    26.5232  -13.8329
            26  C1x C    32.3308  -17.6230
            27  C1x C    31.1646  -15.5531
            28  C1y C    20.4942  -21.6289
            29  N1y N    19.1646  -19.3606
            30  N2y N    32.3482  -16.2586 #+
            31  O7a O    19.3046  -22.3052
            32  C1x C    19.1705  -18.0019
            33  C1x C    17.9809  -20.0544
            34  C7a C    19.3046  -23.6697
            35  C1x C    17.9809  -17.3198
            36  C1x C    16.7972  -19.3664
            37  C1a C    18.1152  -24.3577
            38  O6a O    20.4942  -24.3577
            39  N2y N    16.8032  -18.0019 #+
            40  C1a C    15.5842  -17.2958
            41  C1a C    15.5907  -18.7019
            42  C1a C    33.7814  -15.5740
            43  C1a C    33.7707  -16.9586
BOND        48
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1 #Up
            14   10  15 1 #Up
            15   11  16 1
            16   11  17 1
            17   11  18 1 #Up
            18   14  19 1
            19   15  20 1
            20   15  21 1
            21   16  22 1
            22   17  23 1
            23   19  24 1
            24   19  25 2
            25   20  26 1
            26   21  27 1
            27   22  28 1
            28   23  29 1 #Up
            29   26  30 1
            30   28  31 1 #Down
            31   29  32 1
            32   29  33 1
            33   31  34 1
            34   32  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 2
            38   35  39 1
            39    7  10 1
            40    8  12 1
            41   13  16 1
            42   23  28 1
            43   27  30 1
            44   36  39 1
            45   39  40 1
            46   39  41 1
            47   30  42 1
            48   30  43 1

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