KEGG   COMPOUND: C07235Help
Entry
C07235                      Compound                               

Name
Rifabutin
Formula
C46H62N4O11
Exact mass
846.4415
Mol weight
847.0047
Structure
Mol fileKCF fileDB search
Remark
Same as: D00424
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J04 ANTIMYCOBACTERIALS
   J04A DRUGS FOR TREATMENT OF TUBERCULOSIS
    J04AB Antibiotics
     J04AB04 Rifabutin
      D00424  Rifabutin (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antimycobacterials
  Antimycobacterials, Other
   Rifabutin
    D00424  Rifabutin (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   616  Acting mainly on acid-fast bacteria
    6169  Others
     D00424  Rifabutin (JAN/USP/INN)
Antiinfectives [br08350.html]
 Antibacterials
  D00424
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00424
BRITE hierarchy
Other DBs
CAS: 72559-06-9
PubChem: 9444
ChEBI: 45367
ChEMBL: CHEMBL444633
KNApSAcK: C00027872
PDB-CCD: RBT[PDBj]
NIKKAJI: J342.306I
LinkDB All DBs
KCF data Show

ATOM        61
            1   C1c C    28.4200  -13.1600
            2   C1c C    28.4200  -14.6300
            3   O1a O    30.8700  -14.5600
            4   C1c C    30.8700  -13.1600
            5   C1c C    29.6100  -12.4600
            6   C2b C    33.2500  -13.1600
            7   C1c C    32.0600  -12.4600
            8   C5a C    34.5100  -15.3300
            9   C2c C    35.7000  -14.6300
            10  C2b C    35.7000  -13.1600
            11  C2b C    34.5100  -12.4600
            12  C1a C    32.0600  -11.0600
            13  C1a C    29.6100  -11.0600
            14  O1a O    27.2300  -12.4600
            15  C1a C    36.8900  -15.3300
            16  O5a O    33.3200  -14.6300
            17  N1b N    34.5100  -17.0100
            18  C1c C    27.2300  -15.3300
            19  O7a O    26.0400  -14.6300
            20  C1c C    27.2300  -17.0100
            21  C2y C    33.3200  -17.7100
            22  C2y C    33.3200  -19.1100
            23  C5x C    32.0600  -17.0100
            24  C8y C    30.8700  -17.7100
            25  C8y C    30.8700  -19.1100
            26  C2y C    32.0600  -19.8100
            27  C8y C    29.6800  -17.0100
            28  C8y C    28.4200  -17.7100
            29  C8y C    28.4200  -19.1100
            30  C8y C    29.6800  -19.8100
            31  O5x O    32.0600  -15.6100
            32  O1a O    29.6800  -15.6100
            33  C1a C    27.2300  -13.5100
            34  C7a C    24.7800  -13.9300
            35  C1a C    23.5900  -14.6300
            36  O6a O    24.7800  -12.5300
            37  N2x N    32.0600  -21.2100
            38  C1z C    34.5800  -21.2100
            39  N1x N    34.5800  -19.8100
            40  C1x C    34.5800  -22.6100
            41  C1x C    35.7700  -23.3100
            42  N1y N    37.0300  -22.6100
            43  C1x C    37.0300  -21.2100
            44  C1x C    35.7700  -20.5100
            45  C1b C    38.2200  -23.3100
            46  C1c C    39.4100  -22.6100
            47  C1a C    40.6000  -23.3100
            48  C1a C    39.4100  -21.2100
            49  C1c C    26.0400  -17.7100
            50  O2a O    24.8500  -17.0100
            51  C2b C    26.0400  -19.1100
            52  C1a C    26.0400  -16.0300
            53  C1a C    23.6600  -17.7100
            54  C2b C    24.8500  -19.8100
            55  O2a O    24.8500  -21.2100
            56  O2x O    27.2300  -19.8100
            57  C1z C    27.2300  -21.2100
            58  C5x C    29.6800  -21.2100
            59  O5x O    30.6600  -22.1900
            60  C1a C    27.2300  -22.6100
            61  C1a C    28.4200  -16.3100
BOND        66
            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 2
            22   21  23 1
            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 2
            32   27  32 1
            33    2  33 1 #Up
            34   19  34 1
            35   34  35 1
            36   34  36 2
            37   37  38 1
            38   38  39 1
            39   39  22 1
            40   26  37 2
            41   26  22 1
            42   38  40 1
            43   40  41 1
            44   41  42 1
            45   42  43 1
            46   43  44 1
            47   38  44 1
            48   42  45 1
            49   45  46 1
            50   46  47 1
            51   46  48 1
            52   20  49 1
            53   49  50 1 #Down
            54   49  51 1
            55   20  52 1 #Down
            56   50  53 1
            57   51  54 2
            58   54  55 1
            59   29  56 1
            60   56  57 1
            61   55  57 1
            62   30  58 1
            63   57  58 1
            64   58  59 2
            65   57  60 1 #Down
            66   28  61 1

» Japanese version

DBGET integrated database retrieval system