KEGG   DRUG: Nabitan hydrochloride
Entry
D05100                      Drug                                   
Name
Nabitan hydrochloride (USAN)
Formula
C35H52N2O3. HCl
Exact mass
584.3745
Mol weight
585.26
Structure
Simcomp
Efficacy
Analgesic
Other DBs
CAS: 49637-08-3
PubChem: 47206825
LigandBox: D05100
NIKKAJI: J244.971D
LinkDB
KCF data

ATOM        41
            1   X   Cl   35.5576  -25.8410
            2   C1x C    18.9700  -24.9900
            3   C1x C    18.9700  -26.3900
            4   C2y C    20.1824  -27.0900
            5   C2y C    21.3949  -26.3900
            6   C1x C    21.3949  -24.9900
            7   N1y N    20.1824  -24.2900
            8   C1z C    20.1824  -28.4900
            9   O2x O    21.3949  -29.1900
            10  C8y C    22.6073  -28.4900
            11  C8y C    22.6073  -27.0900
            12  C8x C    23.8197  -29.1900
            13  C8y C    25.0322  -28.4900
            14  C8x C    25.0322  -27.0900
            15  C8y C    23.8197  -26.3900
            16  C1a C    18.9533  -29.1998
            17  C1a C    20.1824  -29.8900
            18  C1b C    20.1824  -22.8902
            19  C3b C    18.9532  -22.1803
            20  O7a O    23.8197  -24.9901
            21  C7a C    25.0174  -24.2986
            22  C1b C    26.2055  -24.9847
            23  O6a O    25.0175  -22.8903
            24  C1b C    27.3964  -24.2970
            25  C1b C    28.5860  -24.9838
            26  N1y N    29.7762  -24.2966
            27  C1x C    30.9661  -24.9836
            28  C1x C    32.1786  -24.2836
            29  C1x C    32.1786  -22.8836
            30  C1x C    30.9887  -22.1966
            31  C1x C    29.7762  -22.8966
            32  C1c C    26.2653  -29.2022
            33  C1c C    27.4715  -28.5060
            34  C1b C    28.6533  -29.1885
            35  C1b C    29.8476  -28.4990
            36  C1b C    31.0353  -29.1849
            37  C1b C    32.2266  -28.4972
            38  C1a C    33.4159  -29.1840
            39  C1a C    26.2650  -30.5899
            40  C1a C    27.4720  -27.0904
            41  C3a C    17.7408  -21.4803
BOND        43
            1     2   3 1
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     4   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 2
            11    5  11 1
            12   10  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   11  15 1
            17    8  16 1
            18    8  17 1
            19    7  18 1
            20   18  19 1
            21   15  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2
            25   22  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   26  31 1
            34   13  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   32  39 1
            42   33  40 1
            43   19  41 3

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