KEGG   DRUG: Pentamidine isethionate
Entry
D00834                      Drug                                   
Name
Pentamidine isethionate (USP);
Pentamidine isetionate (JAN);
Pentam 300 (TN)
Product
  Generic
Formula
C19H24N4O2. (C2H6O4S)2
Exact mass
592.1873
Mol weight
592.69
Structure
Simcomp
Remark
Therapeutic category: 6419
ATC code: P01CX01
Chemical structure group: DG01902
Product (DG01902): D00834<JP/US>
Efficacy
Antifungal, Antiprotozoal
  Disease
Pneumocystis jiroveci pneumonia [DS:H01521]
Pneumonia due to Pneumocystis carinii [DS:H01521]
Comment
Prevention and treatment of pneumonia
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01C AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
    P01CX Other agents against leishmaniasis and trypanosomiasis
     P01CX01 Pentamidine isethionate
      D00834  Pentamidine isethionate (USP) <JP/US>
USP drug classification [BR:br08302]
 Antiparasitics
  Antiprotozoals
   Pentamidine
    D00834  Pentamidine isethionate (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  64  Parasitics (systemic)
   641  Antiprotozoans
    6419  Others
     D00834  Pentamidine isethionate (USP); Pentamidine isetionate (JAN)
Antimicrobials [BR:br08307]
 Antiparasitics
  Agents against Leishmaniasis and Trypanosomiasis
   Others
    D00834  Pentamidine isethionate (USP) <JP/US>
Other DBs
CAS: 140-64-7
PubChem: 7847899
ChEBI: 7977
LigandBox: D00834
NIKKAJI: J327.483G
LinkDB
KCF data

ATOM        39
            1   O1d O    24.5223  -17.4469
            2   S4a S    24.5223  -18.8470
            3   C1b C    23.1223  -18.8470
            4   O1d O    25.9223  -18.8470
            5   O1d O    24.5223  -20.2469
            6   C1b C    22.4096  -17.6121
            7   O1a O    21.0003  -17.6117
            8   C8y C    11.3400  -13.7900
            9   C8x C    11.3400  -15.1900
            10  C8x C    12.5524  -15.8900
            11  C8y C    13.7649  -15.1900
            12  C8x C    13.7649  -13.7900
            13  C8x C    12.5524  -13.0900
            14  C2c C    10.1276  -13.0900
            15  N1a N     8.9321  -13.7804
            16  N2a N    10.1275  -11.6902
            17  O2a O    15.0024  -15.8900
            18  C1b C    16.2149  -15.1900
            19  C1b C    17.4273  -15.8900
            20  C1b C    18.6397  -15.1900
            21  C1b C    19.8522  -15.8900
            22  C1b C    21.0646  -15.1900
            23  O2a O    22.2770  -15.8900
            24  C8y C    23.4895  -15.1900
            25  C8x C    24.7246  -15.9034
            26  C8x C    25.9372  -15.2037
            27  C8y C    25.9375  -13.8037
            28  C8x C    24.7024  -13.0902
            29  C8x C    23.4898  -13.7900
            30  C2c C    27.1803  -13.0863
            31  N1a N    28.3789  -13.7787
            32  N2a N    27.1805  -11.6902
            33  O1d O    24.5223  -17.4469
            34  S4a S    24.5223  -18.8470
            35  C1b C    23.1223  -18.8470
            36  C1b C    22.4096  -17.6121
            37  O1a O    21.0003  -17.6117
            38  O1d O    25.9223  -18.8470
            39  O1d O    24.5223  -20.2469
BOND        38
            1     8   9 2
            2     9  10 1
            3    10  11 2
            4    11  12 1
            5    12  13 2
            6     8  13 1
            7     8  14 1
            8    14  15 1
            9    14  16 2
            10   11  17 1
            11   17  18 1
            12   18  19 1
            13   19  20 1
            14   20  21 1
            15   21  22 1
            16   22  23 1
            17   23  24 1
            18   24  25 2
            19   25  26 1
            20   26  27 2
            21   27  28 1
            22   28  29 2
            23   24  29 1
            24   27  30 1
            25   30  31 1
            26   30  32 2
            27    1   2 1
            28    2   3 1
            29    2   4 2
            30    2   5 2
            31    3   6 1
            32    6   7 1
            33   33  34 1
            34   34  35 1
            35   34  38 2
            36   34  39 2
            37   35  36 1
            38   36  37 1
BRACKET     1    19.7400  -20.6500   19.7400  -16.5200
            1    27.3700  -16.5200   27.3700  -20.6500
            1  2
 ORIGINAL  1    1   2   3   6   7   4   5
 REPEAT    1   33  34  35  36  37  38  39

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