KEGG   DRUG: Docusate sodiumHelp
Entry
D00305                      Drug                                   

Name
Docusate sodium (USP);
Sodium dioctyl sulfosuccinate (INN);
Dioctyl sodium sulfosuccinate (JAN);
Colace (TN)
Formula
C20H37O7S. Na
Exact mass
444.2158
Mol weight
444.5583
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01770  Laxative
  DG01764  Emollient laxative
Remark
Therapeutic category: 1329
ATC code: A06AA02
Chemical structure group: DG01771
Product (DG01771): D00305<JP>
Product (mixture): D04406<JP>
Efficacy
Softener, Surfactant
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AA Softeners, emollients
     A06AA02 Docusate sodium
      D00305  Docusate sodium (USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   132  Otic and nasal agents
    1329  Others
     D00305  Docusate sodium (USP); Sodium dioctyl sulfosuccinate (INN); Dioctyl sodium sulfosuccinate (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  17 Cathartics
   D00305  Docusate sodium (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Dioctyl sodium sulfosuccinate
    D00305  Docusate sodium (USP)
Pharmaceutical additives in Japan [BR:br08316]
 Bonding agent
  D00305  [120006] Dioctyl sodium sulfosuccinate
 Suspending agent
  D00305  [120006] Dioctyl sodium sulfosuccinate
 Wetting agent
  D00305  [120006] Dioctyl sodium sulfosuccinate
 Emulsion
  D00305  [120006] Dioctyl sodium sulfosuccinate
 Dispersant
  D00305  [120006] Dioctyl sodium sulfosuccinate
 Disintegrant
  D00305  [120006] Dioctyl sodium sulfosuccinate
BRITE hierarchy
Other DBs
CAS: 577-11-7
PubChem: 7847371
ChEBI: 4674
ChEMBL: CHEMBL1905872
LigandBox: D00305
NIKKAJI: J6.564A
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1c C    21.4510  -17.1305
            2   C7a C    22.6556  -17.8179
            3   C1b C    20.2399  -17.8179
            4   S4a S    21.4510  -15.7365
            5   O7a O    23.8602  -17.1305
            6   O6a O    22.6556  -19.2118
            7   C7a C    19.0353  -17.1305
            8   O1d O    20.0444  -15.7239
            9   O1d O    22.9269  -15.7177
            10  C1b C    25.0649  -17.8179
            11  O7a O    17.8306  -17.8179
            12  O6a O    19.0353  -15.7365
            13  C1c C    26.2697  -17.1305
            14  C1b C    16.6258  -17.1305
            15  C1b C    27.4744  -17.8179
            16  C1b C    26.2697  -15.7365
            17  C1c C    15.4212  -17.8179
            18  C1b C    28.6790  -17.1305
            19  C1a C    27.4744  -15.0365
            20  C1b C    14.2165  -17.1305
            21  C1b C    15.4212  -19.2118
            22  C1b C    29.8900  -17.8179
            23  C1b C    13.0119  -17.8179
            24  C1a C    14.2165  -19.9120
            25  C1a C    31.0947  -17.1305
            26  C1b C    11.8009  -17.1305
            27  C1a C    10.5962  -17.8179
            28  O1d O    21.4480  -14.3503 #-
            29  Z   Na   21.0700  -12.4600 #+
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     4   9 2
            9     5  10 1
            10    7  11 1
            11    7  12 2
            12   10  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   17  21 1
            21   18  22 1
            22   20  23 1
            23   21  24 1
            24   22  25 1
            25   23  26 1
            26   26  27 1
            27    4  28 1

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