KEGG   DRUG: Domiphen bromideHelp
Entry
D01588                      Drug                                   

Name
Domiphen bromide (JAN/USAN/INN);
Oradol (TN)
Formula
C22H40NO. Br
Exact mass
413.2293
Mol weight
414.4631
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Therapeutic category: 2399
ATC code: A01AB06
Product: D01588<JP>
Efficacy
Anti-infective (dental)
Comment
Cationic surfactant
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB06 Domiphen
      D01588  Domiphen bromide (JAN/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D01588  Domiphen bromide (JAN/USAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Domiphen bromide
    D01588  Domiphen bromide (JAN/USAN/INN)
Antiinfectives [br08350.html]
 Antibacterials
  D01588
BRITE hierarchy
Other DBs
CAS: 538-71-6
PubChem: 7848651
ChEBI: 31514
ChEMBL: CHEMBL486696
LigandBox: D01588
NIKKAJI: J244.241H
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8x C    19.1100  -15.7500
            2   C8x C    19.1100  -14.3500
            3   C8x C    20.3700  -13.6500
            4   C8y C    21.5600  -14.3500
            5   C8x C    21.5600  -15.7500
            6   C8x C    20.3700  -16.4500
            7   O2a O    22.7500  -13.6500
            8   C1b C    23.9400  -14.3500
            9   C1b C    25.1300  -13.6500
            10  N1d N    26.3200  -14.3500 #+
            11  C1b C    27.7200  -13.6500
            12  C1b C    28.9100  -14.3500
            13  C1b C    30.1700  -13.6500
            14  C1a C    31.3600  -14.3500
            15  C1a C    26.3200  -15.7500
            16  C1a C    26.3200  -12.8100
            17  X   Br   24.1500  -15.4700 #-
            18  C1b C    27.7200  -13.6500
            19  C1b C    28.9100  -14.3500
            20  C1b C    27.7200  -13.6500
            21  C1b C    28.9100  -14.3500
            22  C1b C    27.7200  -13.6500
            23  C1b C    28.9100  -14.3500
            24  C1b C    27.7200  -13.6500
            25  C1b C    28.9100  -14.3500
BOND        24
            1     5   6 2
            2     6   1 1
            3    13  14 1
            4     4   7 1
            5     7   8 1
            6     1   2 2
            7     8   9 1
            8     2   3 1
            9     9  10 1
            10    3   4 2
            11    4   5 1
            12   10  15 1
            13   10  16 1
            14   11  12 1
            15   12  13 1
            16   18  19 1
            17   11  19 1
            18   20  21 1
            19   18  21 1
            20   22  23 1
            21   20  23 1
            22   24  25 1
            23   22  25 1
            24   24  10 1
BRACKET     1    27.6500  -15.1200   27.6500  -13.1600
            1    29.3300  -13.1600   29.3300  -15.1200
            1  5
 ORIGINAL  1   11  12
 REPEAT    1   18  19  20  21  22  23  24  25

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