KEGG   DRUG: DalfopristinHelp
Entry
D00853                      Drug                                   

Name
Dalfopristin (JAN/USAN/INN)
Formula
C34H50N4O9S
Exact mass
690.3299
Mol weight
690.8472
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C08033
Product (mixture): D00854<JP/US>
Efficacy
Antibacterial
Comment
Streptogramin
Interaction
Drug interaction
Other DBs
CAS: 112362-50-2
PubChem: 7847918
ChEBI: 4309
DrugBank: DB01764
LigandBox: D00853
NIKKAJI: J492.987J
LinkDB All DBs
KCF data Show

ATOM        48
            1   C1y C    17.0106  -16.2369
            2   N1y N    18.4020  -16.2429
            3   C1y C    16.6439  -17.5814
            4   C7a C    15.7999  -15.5441
            5   C5a C    19.6069  -15.4628
            6   C1x C    18.8967  -17.4709
            7   C1x C    17.8140  -18.3498
            8   S4a S    15.4274  -18.2800
            9   O7a O    14.5892  -16.2369
            10  O6a O    15.7942  -14.1413
            11  C8y C    20.8119  -16.1729
            12  O5a O    19.6011  -14.0657
            13  C1b C    15.4274  -19.6713
            14  O3c O    14.2107  -18.9669
            15  O3c O    15.4915  -16.8771
            16  C1c C    13.3900  -15.5441
            17  N5x N    21.9761  -15.4103
            18  C8x C    21.1669  -17.5874
            19  C1b C    14.2166  -20.3582
            20  C1c C    13.3900  -14.1472
            21  C1c C    12.1792  -16.2310
            22  C8y C    23.0531  -16.2891
            23  O2x O    22.5583  -17.5873
            24  N1c N    14.2166  -21.7551
            25  C2b C    14.5892  -13.4544
            26  C1a C    12.3887  -13.1517
            27  C1a C    12.1733  -17.6339
            28  C1a C    10.9626  -15.5324
            29  C1b C    24.5315  -15.7246
            30  C1b C    13.0058  -22.4537
            31  C1b C    15.4333  -22.4363
            32  C2b C    14.5892  -12.0632
            33  C5a C    24.8867  -14.3741
            34  C1a C    11.8008  -21.7551
            35  C1a C    16.6382  -21.7320
            36  C5a C    15.7999  -11.3647
            37  C1b C    23.9029  -13.3845
            38  O5a O    26.2372  -14.0016
            39  N1b N    17.0106  -12.0516
            40  O5a O    15.7942   -9.9617
            41  C1c C    24.2638  -12.0340
            42  C1b C    18.2215  -11.3588
            43  C2b C    23.0531  -11.3414
            44  O1a O    25.5561  -11.4986
            45  C2b C    19.4322  -12.0457
            46  C2c C    21.8481  -12.0399
            47  C2b C    20.6372  -11.3531
            48  C1a C    21.8422  -13.4371
BOND        50
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    8  13 1
            13    8  14 2
            14    8  15 2
            15    9  16 1
            16   11  17 1
            17   11  18 2
            18   13  19 1
            19   16  20 1
            20   16  21 1 #Down
            21   17  22 2
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   20  26 1 #Down
            26   21  27 1
            27   21  28 1
            28   22  29 1
            29   24  30 1
            30   24  31 1
            31   25  32 2
            32   29  33 1
            33   30  34 1
            34   31  35 1
            35   32  36 1
            36   33  37 1
            37   33  38 2
            38   36  39 1
            39   36  40 2
            40   37  41 1
            41   39  42 1
            42   41  43 1
            43   41  44 1 #Up
            44   42  45 1
            45   43  46 2
            46   45  47 2
            47   46  48 1
            48    6   7 1
            49   22  23 1
            50   46  47 1

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