THYMOLPHTHALEIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H30O4
Molecular Weight	430.5354
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=CC(=C(C)C=C1O)C2(OC(=O)C3=CC=CC=C23)C4=C(C)C=C(O)C(=C4)C(C)C

InChI

InChIKey=LDKDGDIWEUUXSH-UHFFFAOYSA-N

InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/13034620
Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/29267665 | https://www.ncbi.nlm.nih.gov/pubmed/22788417

Thymolphthalein is a weak organic acid that behaves as an acid-base indicator in the pH range 9.3 (colorless) to 10.5 (blue). Thymolphthalein is also known to have been used as a laxative and for disappearing ink.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Constipation 112 Sources: https://www.ncbi.nlm.nih.gov/pubmed/13034620	Primary		Withdrawn	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands.	2010-12-05	20869355
Ionic liquid "buffers"-pH control in ionic liquid systems.	2010-11-07	20871918
In vitro proliferation and osteoblastic phenotype expression of cells derived from human vertebral lamina and iliac crest.	2009-07-01	19564764
A colorimetric assay for steady-state analyses of iodo- and bromoperoxidase activities.	2008-08-01	18492479
Sensitive and rapid titrimetric and spectrophotometric methods for the determination of stavudine in pharmaceuticals using bromate-bromide and three dyes.	2008-06	18506251
Experimental correlation between the pKa value of sulfonphthaleins with the nature of the substituents groups.	2008-04	17716940
Genome-wide association with select biomarker traits in the Framingham Heart Study.	2007-09-19	17903293
On-line solid phase selective separation and preconcentration of Cd(II) by solid-phase extraction using carbon active modified with methyl thymol blue.	2007-09-05	17391841
Water-soluble pH-responsive dendritic core-shell nanocarriers for polar dyes based on poly(ethylene imine).	2007-08-07	17665413
Determination of the complexation constants of Pb(II) and Cd(II) with thymol blue using spectrophotometry, SQUAD and the HSAB principle.	2007-01	16829173
Simultaneous determination of copper, bismuth and lead by adsorptive stripping voltammetry in the presence of thymolphthalexone.	2006-07	16837745
Determination of transverse dispersion coefficients from reactive plume lengths.	2006-03-25	16556203
Surface consolidation of Pentelic marble: criteria for the selection of methods and materials. The Acropolis case.	2005	15768738
Spectrophotometric study of the system Hg(II)-thymol blue-H2O and its evidence through electrochemical means.	2004-02	14747081
A new continuous spectrophotometric assay method for DOPA oxidase activity of tyrosinase.	2003-07	14690250
A direct continuous pH-spectrophotometric assay for arginine kinase activity.	2002-12	12553863
Properties of small molecules affecting insulin receptor function.	2001-11-13	11695899
Spectrophotometric determination of sulfur dioxide in air, using thymol blue.	2001-08-15	11501906
Expression and kinetic properties of a recombinant 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase isoenzyme of human liver.	1995-08	8543560

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Name

Type

Language

NSC-2186

Preferred Name

English

THYMOLPHTHALEIN

Common Name

English

3,3-BIS(4-HYDROXY-2-METHYL-5-(1-METHYLETHYL)PHENYL)-1(3H)-ISOBENZOFURANONE

Systematic Name

English

2',2''-DIISOPROPYL-5',5''-DIMETHYLPHENOLPHTHALEIN

Common Name

English

PHENOLPHTHALEIN, 5',5''-DIISOPROPYL-2',2''-DIMETHYL-

Common Name

English

THYMOLPHTHALEIN [MI]

Common Name

English

5',5''-DIISOPROPYL-2',2''-DIMETHYLPHENOLPHTHALEIN

Common Name

English

3,3-BIS(4-HYDROXY-3-ISOPROPYL-6-METHYL)PHTHALIDE

Common Name

English

Code System Code Type Description

WIKIPEDIA

THYMOLPHTHALEIN