KEGG   COMPOUND: C08089Help
Entry
C08089                      Compound                               

Name
Indinavir sulfate
Formula
C36H47N5O4. H2SO4
Exact mass
711.3302
Mol weight
711.868
Structure
Mol fileKCF fileDB search
Remark
Same as: D00897
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AE Protease inhibitors
     J05AE02 Indinavir
      D00897  Indinavir sulfate (USP) <US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors (PI)
   Indinavir
    D00897  Indinavir sulfate (USP)
Antiinfectives [br08350.html]
 Antivirals
  D00897
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00897
BRITE hierarchy
Other DBs
CAS: 157810-81-6
PubChem: 10289
ChEBI: 5899
ChEMBL: CHEMBL1735
NIKKAJI: J1.130.230K
KCF data Show

ATOM        50
            1   C8y C    17.8500  -18.4100
            2   C1y C    18.9000  -17.4300
            3   C8y C    16.6600  -17.7100
            4   C8x C    17.8500  -19.8100
            5   C1y C    18.3400  -16.1700
            6   N1b N    20.0900  -18.2000
            7   C1x C    16.9400  -16.3100
            8   C8x C    15.4700  -18.4100
            9   C8x C    16.6600  -20.5100
            10  O1a O    19.0400  -14.9800
            11  C5a C    21.4200  -17.4300
            12  C8x C    15.4700  -19.8100
            13  C1c C    22.6100  -18.1300
            14  O5a O    21.4200  -16.0300
            15  C1b C    22.6100  -19.5300
            16  C1b C    23.8700  -17.4300
            17  C8y C    21.4200  -20.2300
            18  C1c C    25.0600  -18.1300
            19  C8x C    21.4200  -21.6300
            20  C8x C    20.2300  -19.5300
            21  C1b C    26.2500  -17.4300
            22  O1a O    25.0600  -19.5300
            23  C8x C    20.2300  -22.3300
            24  C8x C    19.0400  -20.2300
            25  N1y N    27.5100  -18.1300
            26  C8x C    19.0400  -21.6300
            27  C1y C    28.7000  -17.4300
            28  C1x C    27.5100  -19.5300
            29  C1x C    29.8900  -18.1300
            30  C5a C    28.7000  -16.0300
            31  C1x C    28.7000  -20.2300
            32  N1y N    29.8900  -19.5300
            33  N1b N    29.8900  -15.3300
            34  O5a O    27.5100  -15.3300
            35  C1b C    31.1500  -20.2300
            36  C1d C    31.1500  -16.0300
            37  C8y C    32.3400  -19.5300
            38  C1a C    32.4100  -16.8000
            39  C1a C    30.5200  -17.0800
            40  C1a C    31.7800  -14.8400
            41  C8x C    32.3400  -18.1300
            42  C8x C    33.5300  -20.2300
            43  C8x C    33.5300  -17.4300
            44  N5x N    34.7900  -19.5300
            45  C8x C    34.7900  -18.1300
            46  S4a S    24.2900  -22.8200
            47  O1d O    22.8900  -22.8200
            48  O1d O    25.6900  -22.8200
            49  O1d O    24.2900  -21.4200
            50  O1d O    24.2900  -24.2200
BOND        53
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1 #Up
            10    6  11 1
            11    8  12 2
            12   11  13 1
            13   11  14 2
            14   13  15 1 #Up
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 2
            19   17  20 1
            20   18  21 1
            21   18  22 1 #Up
            22   19  23 1
            23   20  24 2
            24   21  25 1
            25   23  26 2
            26   25  27 1
            27   25  28 1
            28   27  29 1
            29   27  30 1 #Down
            30   28  31 1
            31   29  32 1
            32   30  33 1
            33   30  34 2
            34   32  35 1
            35   33  36 1
            36   35  37 1
            37   36  38 1
            38   36  39 1
            39   36  40 1
            40   37  41 1
            41   37  42 2
            42   41  43 2
            43   42  44 1
            44   43  45 1
            45    5   7 1
            46    9  12 1
            47   24  26 1
            48   31  32 1
            49   44  45 2
            50   46  47 1
            51   46  48 1
            52   46  49 2
            53   46  50 2

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