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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13O.Na
Molecular Weight 172.1994
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 4-TERT-BUTYLPHENATE

SMILES

[Na+].CC(C)(C)C1=CC=C([O-])C=C1

InChI

InChIKey=QDJPHAPWEUQBKS-UHFFFAOYSA-M
InChI=1S/C10H14O.Na/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;/q;+1/p-1

HIDE SMILES / InChI

Description

p-tert-butylphenol is in public use since the 1930s. It is used as an intermediate in the manufacture of varnish and lacquer resin. It has apparently not been reported to occur in nature. There is an abundant literature dealing with the well-established sensitization and depigmentation (vitiligo) properties of p-tert-butylphenol.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
10.0 µM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Diagnostic
TRUE Test

PubMed

Sample Use Guides

In Vivo Use Guide
The product is formulated to contain 45 ug/cm2 of p-tert-butylphenol formaldehyde resin, which corresponds to 36 ug of p-tert-butylphenol formaldehyde resin per patch. Schedule patients to return approximately 48 hours after patch test application to have the panels removed.
Route of Administration: Topical
In Vitro Use Guide
BP at 107 M and 106 M significantly decreased estradiol levels in the culture medium of isolated rat ovarian follicles.