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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18O4
Molecular Weight 346.3759
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-CRESOLPHTHALEIN

SMILES

CC1=C(O)C=CC(=C1)C2(OC(=O)C3=C2C=CC=C3)C4=CC(C)=C(O)C=C4

InChI

InChIKey=CPBJMKMKNCRKQB-UHFFFAOYSA-N
InChI=1S/C22H18O4/c1-13-11-15(7-9-19(13)23)22(16-8-10-20(24)14(2)12-16)18-6-4-3-5-17(18)21(25)26-22/h3-12,23-24H,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H18O4
Molecular Weight 346.3759
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Selective and potent inhibitors of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1) that metabolizes neurosteroids derived from progesterone.
2003 Feb 1
Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands.
2010 Dec 5
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:25:14 GMT 2023
Edited
by admin
on Fri Dec 15 17:25:14 GMT 2023
Record UNII
XOU2D9049G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-CRESOLPHTHALEIN
MI  
Common Name English
CRESOLPHTHALEIN, O-
Common Name English
3,3-BIS(4-HYDROXY-3-METHYLPHENYL)-1(3H)-ISOBENZOFURANONE
Systematic Name English
3,3'-DIMETHYLPHENOLPHTHALEIN
Common Name English
1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXY-3-METHYLPHENYL)-
Systematic Name English
O-CRESOLPHTHALEIN [MI]
Common Name English
Code System Code Type Description
PUBCHEM
68995
Created by admin on Fri Dec 15 17:25:14 GMT 2023 , Edited by admin on Fri Dec 15 17:25:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID9060491
Created by admin on Fri Dec 15 17:25:14 GMT 2023 , Edited by admin on Fri Dec 15 17:25:14 GMT 2023
PRIMARY
FDA UNII
XOU2D9049G
Created by admin on Fri Dec 15 17:25:14 GMT 2023 , Edited by admin on Fri Dec 15 17:25:14 GMT 2023
PRIMARY
WIKIPEDIA
o-Cresolphthalein
Created by admin on Fri Dec 15 17:25:14 GMT 2023 , Edited by admin on Fri Dec 15 17:25:14 GMT 2023
PRIMARY
MESH
C010092
Created by admin on Fri Dec 15 17:25:14 GMT 2023 , Edited by admin on Fri Dec 15 17:25:14 GMT 2023
PRIMARY
MERCK INDEX
m3835
Created by admin on Fri Dec 15 17:25:14 GMT 2023 , Edited by admin on Fri Dec 15 17:25:14 GMT 2023
PRIMARY Merck Index
CAS
596-27-0
Created by admin on Fri Dec 15 17:25:14 GMT 2023 , Edited by admin on Fri Dec 15 17:25:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-881-8
Created by admin on Fri Dec 15 17:25:14 GMT 2023 , Edited by admin on Fri Dec 15 17:25:14 GMT 2023
PRIMARY