KEGG   COMPOUND: C18612
Entry
C18612                      Compound                               
Name
Nonoxynol-9 iodine
Formula
C33H60O10. nI2
Structure
Brite
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  951  Antimicrobials for dermatologic use
   9511  Iodine compounds and preparations
    C18612  Nonoxynol iodine
 99  Agents for not mainly purpose of therapeutic
  992  Amphoteric soap and preparations
   9926  Halogen salts and preparations
    C18612  Nonoxynol-9 iodine
Other DBs
CAS: 94349-40-3
PubChem: 124489286
ChEBI: 81865
KCF data

ATOM        45
            1   X   I    18.5500  -21.5600
            2   X   I    19.9500  -21.5600
            3   C8y C    26.8100  -18.7600
            4   C8x C    26.8100  -20.1600
            5   C8x C    28.0224  -20.8600
            6   C8y C    29.2349  -20.1600
            7   C8x C    29.2349  -18.7600
            8   C8x C    28.0224  -18.0600
            9   C1b C    25.5976  -18.0600
            10  C1b C    24.4021  -18.7504
            11  C1b C    23.2147  -18.0649
            12  C1b C    22.0235  -18.7529
            13  C1b C    20.8340  -18.0662
            14  C1b C    19.6439  -18.7535
            15  C1b C    18.4538  -18.0665
            16  C1b C    17.2640  -18.7537
            17  C1a C    16.0738  -18.0666
            18  O2a O    30.4660  -20.8710
            19  C1b C    31.6712  -20.1753
            20  C1b C    32.8535  -20.8581
            21  O1a O    34.0475  -20.1688
            22  O2a O    30.4660  -20.8710
            23  C1b C    31.6712  -20.1753
            24  C1b C    32.8535  -20.8581
            25  O2a O    30.4660  -20.8710
            26  C1b C    31.6712  -20.1753
            27  C1b C    32.8535  -20.8581
            28  O2a O    30.4660  -20.8710
            29  C1b C    31.6712  -20.1753
            30  C1b C    32.8535  -20.8581
            31  O2a O    30.4660  -20.8710
            32  C1b C    31.6712  -20.1753
            33  C1b C    32.8535  -20.8581
            34  O2a O    30.4660  -20.8710
            35  C1b C    31.6712  -20.1753
            36  C1b C    32.8535  -20.8581
            37  O2a O    30.4660  -20.8710
            38  C1b C    31.6712  -20.1753
            39  C1b C    32.8535  -20.8581
            40  O2a O    30.4660  -20.8710
            41  C1b C    31.6712  -20.1753
            42  C1b C    32.8535  -20.8581
            43  O2a O    30.4660  -20.8710
            44  C1b C    31.6712  -20.1753
            45  C1b C    32.8535  -20.8581
BOND        44
            1     1   2 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     7   8 2
            7     3   8 1
            8     3   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17    6  18 1
            18   18  19 1
            19   19  20 1
            20   20  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   29  30 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   37  38 1
            37   38  39 1
            38   39  40 1
            39   40  41 1
            40   41  42 1
            41   42  43 1
            42   43  44 1
            43   44  45 1
            44   45  21 1
BRACKET     1    29.7500  -22.1200   29.7500  -18.9000
            1    33.2500  -18.9000   33.2500  -22.1200
            1  9
 ORIGINAL  1   18  19  20
 REPEAT    1   22  23  24  25  26  27  28  29  30  31  32  33  34  35  36  37
            1   38  39  40  41  42  43  44  45
            2    17.7800  -22.6100   17.7800  -20.5800
            2    20.5800  -20.5800   20.5800  -22.6100
            2  n
 ORIGINAL  2    1   2
 REPEAT    2

» Japanese version

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Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (2)   

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