General
Preferred name
DOCUSATE
Synonyms
DOCUSATE SODIUM ()
Aerosol OT ()
Dioctyl sulfosuccinate sodium salt ()
Bis(2-ethylhexyl) sulfosuccinate sodium salt ()
Constonate ()
Docusate (Sodium) ()
Dioctyl sulfosuccinate (sodium salt) ()
Aerosol OT, Bis(2-ethylhexyl) sulfosuccinate sodium salt, Constonate ()
DOCUSATE POTASSIUM ()
DOCUSATE CALCIUM ()
Norgalax ()
E480 ()
Molcer ()
Chemax doss/75e ()
Velmol ()
Sanmorin ot 70n ()
Butyl-cerumen ()
Dulcoease ()
Monawet mo 65-150 ()
Dioctylal ()
Neocol sw 30 ()
Texapon dos ()
Rapisol a 30 ()
NSC-7779 ()
Triton gr-pg 70 ()
Dioctyl ()
Waxsol ()
Sodium Dioctyl Sulfosuccinate ()
Dioctyl Disodium Sulfosuccinate ()
Soliwax ()
Disonate ()
Klyx ()
Colace ()
Nissan rapisol a 30 ()
Nikkol otp-75 ()
Coprola ()
Aec diethylhexyl sodium sulfosuccinate ()
Di-n-octyl sodium sulfosuccinate ()
Sodium di-n-octyl sulfosuccinate ()
Docusate sodique ()
Dicapryl sodium sulfosuccinate ()
Ins no.480 ()
Diethylhexyl sodium sulfosuccinate ()
Dioctyl Sodium Sulfosuccinate ()
Airrol ct-1 ()
Eurowet ()
Nevax ()
Regutol ()
Jamylene ()
Docusate sodium solution ()
Empimin op70 ()
Ins-480 ()
Dulcivac ()
Doxol ()
Gemtex pa-70 ()
Dialose ()
Audinorm ()
Diotilan ()
Clear Ear ()
Mackanate dos-70 ()
NSC-760404 ()
Docusol 100 ()
Fletchers' Enemette ()
E-480 ()
E 480 ()
Yal ()
Doxinate ()
Dioctyl sodium sulphosuccinate ()
Adekacol ec 8600 ()
Comfolax ()
Molatoc ()
Docusato de sodio ()
Docusol ()
Docusates ()
Spolion 8 ()
Diocto ()
Dioctyl calcium sulfosuccinate ()
Surfak ()
Dioctyl potassium sulfosuccinate ()
Rectalad ()
Rectalad enema ()
Docusate (sodium salt) ()
P&D ID
PD013640
CAS
577-11-7
10041-19-7
105956-73-8
128-49-4
7491-09-0
Tags
available
drug candidate
drug
nuisance
Approved by
FDA
Drug Status
approved
investigational
Max Phase
3.0
Drug indication
Gastroparesis
Iron deficiency anemia
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
PHARMACODYNAMICS Docusate sodium is a laxative and an anionic detergent that supposedly promotes incorporation of water and fats into stool through a reduction in surface tension, resulting in softer fecal mass [L1801,A176984]. Docusate's onset of action is 6-72 hours orally and 2-15 minutes rectally [L1801, L1804]. The effects of docusate are thought to be exerted locally in the jejunum[A32201].
MOA Recent studies suggest that docusate's mechanism of action is due largely to it's surfactant effect in the intestines, which allow fat and water into the feces to soften the stool[A176984].; ; Docusate’s mechanism of action was investigated in 1985 on healthy patients[A32201]. Docusate was added directly to the jejunum based on calculated concentrations of docusate in the jejunum[A32201]. At this concentration, there was an increase in secretion of water, sodium, chloride, and potassium as well as a decrease in absorption of glucose and bicarbonate[A32201]. Based on in vitro data, the authors suggested this effect was due to an increase in intracellular cyclic AMP either directly through docusate or E series prostaglandins[A32201].
INDICATION Indicated for the treatment of constipation associated with dry, hard stools or opioid induced constipation[A176984]. Though recently, pressure has been building to end the use of docusate over concerns of efficacy[A176972,A176987,L5912].
ROE If docusate is systemically absorbed, it undergoes biliary excretion [L1801,L5912].
TOXICITY Docusate is not known to be carcinogenic or cause reproductive toxicity. It was not mutagenic in the Ames assay [MSDS]. Acute oral LD50 in rat is 1900 mg/kg [MSDS].
ABSORPTION Docusate is not absorbed systemically[L1801,L5912]. As the actions of docusate are local and it is not absorbed, the pharmacokinetic parameters are not available[L5912].
DESCRIPTION Docusate sodium (Aerosol OT) is an orally available, over-the-counter laxative and stool softener used to treat or prevent constipation. Docusate has not been linked to serum enzyme elevations during therapy or to clinically apparent liver injury with jaundice. (TargetMol Bioactive Compound Library)
Compound Sets
15
Cayman Chemical Bioactives
30692
ChEMBL Drugs
CHEMBL1905872
CHEMBL1477036
CHEMBL2106608
CHEMBL2107648
DrugBank
DB11089
DrugBank Approved Drugs
DB11089
DrugCentral
941
DrugCentral Approved Drugs
941
DrugMatrix
MedChem Express Bioactive Compound Library
HY-B1268
NPC Screening Collection
Nuisance compounds in cellular assays
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
docusate-sodium
TargetMol Bioactive Compound Library
T0929
The Spectrum Collection
External IDs
94
Properties
(calculated by RDKit )
Molecular Weight
422.23
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
16
Ring Count
0
Aromatic Ring Count
0
cLogP
4.15
TPSA
106.97
Fraction CSP3
0.9
Chiral centers
3.0
Largest ring
0.0
QED
0.29
Structural alerts
1
Surfactant
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Pathway
Endocrinology/Hormones
GPCR/G protein
Microbiology/virology
Neuroscience
Anti-infection
Target
HSV
Opioid Receptor
Source data