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Identification
Name Oxyphenisatin
Accession Number DB04823
Type small molecule
Groups withdrawn
Description

A laxative that undergoes enterohepatic circulation. It may cause jaundice.

Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
1,3-Dihydro-3,3-bis(4-hydroxyphenyl)-2H-indol-2-one
3,3-Bis(4-hydroxyphenyl)-oxindole
3,3-Bis(4-hydroxyphenyl)oxindole
3,3-Bis(p-hydroxyphenyl)-2-indolinone
3,3-Bis(p-hydroxyphenyl)oxindole
4,4'-Dihydroxydiphenylisatin
Dihydroxyphenoloxindol
Oxifenisatina [inn-spanish]
Oxiphenisatinum
Oxyphenisatine
Oxyphenisatinum [inn-latin]
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Salts Not Available
Brand names
Name Company
Critex
Diphenolisatin
Hoscolax
Isatinbisphenol
Isolax
Lavema
Neodrast
Normalax
Nourilax
Phenolisatin
Propellax
Recolon
Veripaque
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Brand mixtures Not Available
Categories
  • Cathartics
CAS number 125-13-3
Weight Average: 317.338
Monoisotopic: 317.105193351
Chemical Formula C20H15NO3
InChI Key InChIKey=SJDACOMXKWHBOW-UHFFFAOYSA-N
InChI
InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)
Plain Text
IUPAC Name
3,3-bis(4-hydroxyphenyl)-2,3-dihydro-1H-indol-2-one
SMILES
OC1=CC=C(C=C1)C1(C(=O)NC2=CC=CC=C12)C1=CC=C(O)C=C1
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties Not Available
Predicted Properties
Property Value Source
water solubility 1.25e-02 g/l ALOGPS
logP 3.78 ALOGPS
logP 3.83 ChemAxon
logS -4.4 ALOGPS
pKa (strongest acidic) 9.18 ChemAxon
pKa (strongest basic) -6 ChemAxon
physiological charge 0 ChemAxon
hydrogen acceptor count 3 ChemAxon
hydrogen donor count 3 ChemAxon
polar surface area 69.56 ChemAxon
rotatable bond count 2 ChemAxon
refractivity 93.69 ChemAxon
polarizability 33.07 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 31315 Link_out
PubChem Substance 46508827 Link_out
ChemSpider 29053 Link_out
BindingDB 50208447 Link_out
ATC Codes
  • A06AB01
AHFS Codes Not Available
PDB Entries Not Available
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Comments
Drug created on September 11, 2007 14:26 / Updated on February 08, 2013 16:23