KEGG   COMPOUND: C08059Help
Entry
C08059                      Compound                               

Name
Rifapentine
Formula
C47H64N4O12
Exact mass
876.4521
Mol weight
877.0307
Structure
Mol fileKCF fileDB search
Remark
Same as: D00879
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J04 ANTIMYCOBACTERIALS
   J04A DRUGS FOR TREATMENT OF TUBERCULOSIS
    J04AB Antibiotics
     J04AB05 Rifapentine
      D00879  Rifapentine (USAN/INN) <US>
USP drug classification [BR:br08302]
 Antimycobacterials
  Antituberculars
   Rifapentine
    D00879  Rifapentine (USAN/INN)
Antiinfectives [br08350.html]
 Antibacterials
  D00879
BRITE hierarchy
Other DBs
CAS: 61379-65-5
PubChem: 10259
ChEBI: 45304
ChEMBL: CHEMBL1660
PDB-CCD: RPT[PDBj]
NIKKAJI: J18.479I
LinkDB All DBs
KCF data Show

ATOM        63
            1   C1c C    27.3718  -12.9612
            2   C1c C    27.3718  -14.3783
            3   O1a O    29.7337  -14.3109
            4   C1c C    29.7337  -12.9612
            5   C1c C    28.5190  -12.2864
            6   C2b C    32.0281  -12.9612
            7   C1c C    30.8809  -12.2864
            8   C5a C    33.2427  -15.0532
            9   C2c C    34.3900  -14.3783
            10  C2b C    34.3900  -12.9612
            11  C2b C    33.2427  -12.2864
            12  C1a C    30.8809  -10.9367
            13  C1a C    28.5190  -10.9367
            14  O1a O    26.2246  -12.2864
            15  C1a C    35.5372  -15.0532
            16  O5a O    32.0955  -14.3783
            17  N1b N    33.2427  -16.6728
            18  C1c C    26.2246  -15.0532
            19  O7a O    25.0774  -14.3783
            20  C1c C    26.2246  -16.6728
            21  C8y C    32.0955  -17.3476
            22  C8y C    32.0955  -18.6973
            23  C8y C    30.8809  -16.6728
            24  C8y C    29.7337  -17.3476
            25  C8y C    29.7337  -18.6973
            26  C8y C    30.8809  -19.3721
            27  C8y C    28.5864  -16.6728
            28  C8y C    27.3718  -17.3476
            29  C8y C    27.3718  -18.6973
            30  C8y C    28.5864  -19.3721
            31  O1a O    30.8809  -15.3231
            32  O1a O    28.5864  -15.3231
            33  C1a C    26.2246  -13.2987
            34  C7a C    23.8626  -13.7035
            35  C1a C    22.7154  -14.3783
            36  O6a O    23.8626  -12.3538
            37  C1c C    25.0774  -17.3476
            38  O2a O    23.9301  -16.6728
            39  C2b C    25.0774  -18.6973
            40  C1a C    25.0774  -15.7280
            41  C1a C    22.7829  -17.3476
            42  C2b C    23.9301  -19.3721
            43  O2a O    23.9301  -20.7218
            44  O2x O    26.2246  -19.3721
            45  C1z C    26.2246  -20.7218
            46  C5x C    28.5864  -20.7218
            47  C1a C    26.2246  -22.0714
            48  C1a C    27.3718  -15.9979
            49  O1a O    30.8809  -20.7218
            50  O5x O    29.6662  -21.3966
            51  C2b C    33.2737  -19.3910
            52  N2b N    34.4690  -18.7142
            53  N1y N    35.6404  -19.4036
            54  C1x C    35.6286  -20.7908
            55  C1x C    36.8320  -21.4992
            56  N1y N    38.0473  -20.8114
            57  C1x C    38.0590  -19.4242
            58  C1x C    36.8557  -18.7157
            59  C1y C    39.2562  -21.5232
            60  C1x C    39.2562  -22.9232
            61  C1x C    40.5877  -23.3558
            62  C1x C    41.4106  -22.2232
            63  C1x C    40.5877  -21.0905
BOND        68
            1     1   2 1
            2     4   3 1 #Down
            3     4   5 1
            4     1   5 1
            5     6   7 1
            6     4   7 1
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10    6  11 2
            11    7  12 1 #Up
            12    5  13 1 #Down
            13    1  14 1 #Down
            14    9  15 1
            15    8  16 2
            16    8  17 1
            17    2  18 1
            18   18  19 1 #Up
            19   18  20 1
            20   17  21 1
            21   21  22 1
            22   21  23 2
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   24  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   25  30 2
            31   23  31 1
            32   27  32 1
            33    2  33 1 #Up
            34   19  34 1
            35   34  35 1
            36   34  36 2
            37   26  22 2
            38   20  37 1
            39   37  38 1 #Down
            40   37  39 1
            41   20  40 1 #Down
            42   38  41 1
            43   39  42 2
            44   42  43 1
            45   29  44 1
            46   44  45 1
            47   43  45 1
            48   30  46 1
            49   45  46 1
            50   45  47 1 #Down
            51   28  48 1
            52   26  49 1
            53   50  46 2
            54   22  51 1
            55   51  52 2
            56   52  53 1
            57   53  54 1
            58   54  55 1
            59   55  56 1
            60   56  57 1
            61   57  58 1
            62   53  58 1
            63   56  59 1
            64   59  60 1
            65   60  61 1
            66   61  62 1
            67   62  63 1
            68   59  63 1

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