KEGG   DRUG: Dibunate sodium
Entry
D01700                      Drug                                   
Name
Dibunate sodium (JAN);
Sodium dibunate (INN)
Formula
C18H23O3S. Na
Exact mass
342.1266
Mol weight
342.43
Structure
Remark
ATC code: R05DB16
Chemical structure group: DG01089
Efficacy
Antitussive
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
    R05DB Other cough suppressants
     R05DB16 Dibunate
      D01700  Dibunate sodium (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Dibunate
    D01700  Dibunate sodium (JAN)
Other DBs
CAS: 14992-59-7
PubChem: 7848763
LigandBox: D01700
NIKKAJI: J81.811I
LinkDB
KCF data

ATOM        23
            1   C8y C     8.2600  -16.1700
            2   C8x C     8.2600  -17.5700
            3   C8x C     9.4724  -18.2700
            4   C8y C    10.6849  -17.5700
            5   C8y C    10.6849  -16.1700
            6   C8y C     9.4724  -15.4700
            7   C8x C    11.8973  -18.2700
            8   C8y C    13.1097  -17.5700
            9   C8x C    13.1097  -16.1700
            10  C8x C    11.8973  -15.4700
            11  C1d C    14.3073  -18.2615
            12  C1a C    15.5197  -18.9615
            13  C1a C    13.5971  -19.4921
            14  C1a C    14.9965  -17.0673
            15  S4a S     9.4724  -13.1602
            16  O1d O     9.4724  -11.7602 #-
            17  O1d O     8.0500  -13.1602
            18  O1d O    10.8500  -13.1602
            19  C1d C     7.0476  -15.4700
            20  C1a C     5.8351  -14.7700
            21  C1a C     6.3534  -16.6727
            22  C1a C     7.7530  -14.2479
            23  Z   Na   10.9200  -11.9000 #+
BOND        23
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   11  13 1
            15   11  14 1
            16    6  15 1
            17   15  16 1
            18   15  17 2
            19   15  18 2
            20    1  19 1
            21   19  20 1
            22   19  21 1
            23   19  22 1

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