KEGG   DRUG: Propamidine isetionate
Entry
D08436                      Drug                                   
Name
Propamidine isetionate;
Golden eye drops (TN)
Formula
C17H20N4O2. (C2H6O4S)2
Exact mass
564.156
Mol weight
564.6296
Structure
Simcomp
Remark
ATC code: D08AC03 S01AX15
Chemical structure group: DG00424
Efficacy
Antiprotozoal, Antiseptic, Disinfectant
Comment
Amidine
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AC Biguanides and amidines
     D08AC03 Propamidine
      D08436  Propamidine isetionate
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AX Other antiinfectives
     S01AX15 Propamidine
      D08436  Propamidine isetionate
Other DBs
CAS: 140-63-6
PubChem: 96025122
ChEBI: 87175
LigandBox: D08436
KCF data

ATOM        37
            1   C8x C     6.7200  -17.7800
            2   C8y C     6.7200  -16.3800
            3   C8x C     7.9100  -15.6800
            4   C8x C     9.1700  -16.3800
            5   C8y C     9.1700  -17.7800
            6   C8x C     7.9100  -18.4800
            7   O2a O    10.3600  -18.4800
            8   C1b C    11.6200  -17.7800
            9   C1b C    12.8100  -18.4800
            10  C1b C    14.0000  -17.7800
            11  O2a O    15.2600  -18.4800
            12  C8y C    16.4500  -17.7800
            13  C8x C    16.4500  -16.3800
            14  C8x C    17.6400  -15.6800
            15  C8y C    18.9000  -16.3800
            16  C8x C    18.9000  -17.7800
            17  C8x C    17.6400  -18.4800
            18  C2c C    20.1600  -15.6800
            19  N1a N    21.3500  -16.3800
            20  C2c C     5.5300  -15.6800
            21  N1a N     4.3400  -16.3800
            22  N2a N     5.5300  -14.2800
            23  N2a N    20.1600  -14.2800
            24  S4a S    29.1900  -16.5200
            25  O1d O    29.1900  -17.9200
            26  O1d O    29.1900  -15.1200
            27  O1d O    30.5900  -16.5200
            28  C1b C    27.7900  -16.5200
            29  C1b C    27.0900  -15.3300
            30  O1a O    25.6900  -15.3300
            31  S4a S    29.1900  -16.5200
            32  O1d O    29.1900  -17.9200
            33  O1d O    29.1900  -15.1200
            34  O1d O    30.5900  -16.5200
            35  C1b C    27.7900  -16.5200
            36  C1b C    27.0900  -15.3300
            37  O1a O    25.6900  -15.3300
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   15  18 1
            20   18  19 1
            21    2  20 1
            22   20  21 1
            23   20  22 2
            24   18  23 2
            25   24  25 2
            26   24  26 2
            27   24  27 1
            28   24  28 1
            29   28  29 1
            30   29  30 1
            31   31  32 2
            32   31  33 2
            33   31  34 1
            34   31  35 1
            35   35  36 1
            36   36  37 1
BRACKET     1    24.0100  -18.8300   24.0100  -13.7200
            1    32.2000  -13.7200   32.2000  -18.8300
            1  2
 ORIGINAL  1   24  25  26  27  28  29  30
 REPEAT    1   31  32  33  34  35  36  37

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Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (5)   

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