KEGG   COMPOUND: C08091Help
Entry
C08091                      Compound                               

Name
Nelfinavir mesylate;
Nelfinavir mesilate
Formula
C32H45N3O4S. CH4SO3
Exact mass
663.3012
Mol weight
663.8881
Structure
Mol fileKCF fileDB search
Remark
Same as: D00899
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
     J05AE04 Nelfinavir
      D00899  Nelfinavir mesylate (USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors (PI)
   Nelfinavir
    D00899  Nelfinavir mesylate (USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D00899  Nelfinavir mesylate (USAN/INN); Nelfinavir mesilate (JAN)
Antiinfectives [br08350.html]
 Antivirals
  D00899
BRITE hierarchy
Other DBs
CAS: 159989-65-8
PubChem: 10291
ChEBI: 7497
ChEMBL: CHEMBL1205
NIKKAJI: J710.192I
KCF data Show

ATOM        45
            1   S4a S    32.5083  -22.9121
            2   C1a C    31.1070  -22.9121
            3   O1d O    33.9096  -22.9121
            4   O1d O    32.5083  -24.3134
            5   O1d O    32.5083  -21.5109
            6   O1a O    12.4699  -21.1605
            7   C8y C    13.6834  -21.8612
            8   C8y C    14.8970  -21.1605
            9   C8y C    16.1105  -21.8612
            10  C5a C    17.3241  -21.1605
            11  N1b N    18.5377  -21.8612
            12  C1c C    19.7512  -21.1605
            13  C1c C    20.9647  -21.8612
            14  C1b C    22.1783  -21.1605
            15  N1y N    23.3918  -21.8612
            16  C1y C    24.6055  -21.1605
            17  C1x C    25.8190  -21.8612
            18  C8x C    13.6834  -23.2625
            19  C8x C    14.8970  -23.9631
            20  C8x C    16.1105  -23.2625
            21  O5a O    17.3241  -19.7593
            22  C1b C    19.7512  -19.7592
            23  S2a S    20.9688  -19.0563
            24  C8y C    20.9688  -17.6575
            25  C8x C    22.1665  -16.9659
            26  C8x C    22.1664  -15.5646
            27  C8x C    20.9528  -14.8640
            28  C8x C    19.7551  -15.5557
            29  C8x C    19.7552  -16.9570
            30  O1a O    20.9647  -23.2624
            31  C5a C    24.6055  -19.7593
            32  O5a O    23.3811  -19.0524
            33  N1b N    25.8082  -19.0649
            34  C1d C    26.9995  -19.7527
            35  C1a C    28.2130  -20.4534
            36  C1a C    27.7001  -18.5392
            37  C1a C    26.2988  -20.9663
            38  C1x C    23.3918  -23.2625
            39  C1y C    24.6055  -23.9631
            40  C1y C    25.8190  -23.2625
            41  C1x C    24.6055  -25.3644
            42  C1x C    25.8190  -26.0650
            43  C1x C    27.0325  -25.3644
            44  C1x C    27.0325  -23.9631
            45  C1a C    14.8970  -19.7594
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     6   7 1
            6     7   8 1
            7     8   9 2
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16    7  18 2
            17   18  19 1
            18   19  20 2
            19   20   9 1
            20   10  21 2
            21   12  22 1 #Up
            22   22  23 1
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   24  29 1
            30   13  30 1 #Up
            31   16  31 1 #Down
            32   31  32 2
            33   31  33 1
            34   33  34 1
            35   34  35 1
            36   34  36 1
            37   34  37 1
            38   15  38 1
            39   38  39 1
            40   39  40 1
            41   17  40 1
            42   39  41 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
            46   40  44 1
            47    8  45 1

» Japanese version

DBGET integrated database retrieval system