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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8O
Molecular Weight 144.1703
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETANAPHTHOL

SMILES

c1ccc2cc(ccc2c1)O

InChI

InChIKey=JWAZRIHNYRIHIV-UHFFFAOYSA-N
InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H

HIDE SMILES / InChI

Molecular Formula C10H8O
Molecular Weight 144.1703
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

BETANAPHTHOL (or 2-Naphthol) is used as a preservative. It is known, that this compound can cause dermatitis.

Approval Year

Overview

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer




Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
yes [IC50 17 uM]
yes
Drug as victim
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
Enantioselective oxidative biaryl coupling reactions catalyzed by 1,5-diazadecalin metal complexes.
2001 Apr 19
Solvent-free asymmetric aminoalkylation of electron-rich aromatic compounds: stereoselective synthesis of aminoalkylnaphthols by crystallization-induced asymmetric transformation.
2001 Jul 13
An investigation of the adsorption of organic dyes onto organo-montmorillonite.
2001 Mar
Evaluation of diazotized 4-amino-3,5-dinitrobenzoic acid (ADBA) as a new derivatizing reagent.
2001 Sep
Biological monitoring of environmental exposure to polycyclic aromatic hydrocarbons in subjects living in the vicinity of a creosote impregnation plant.
2001 Sep
Effects of genetic polymorphisms of CYP1A1, CYP2E1, GSTM1, and GSTT1 on the urinary levels of 1-hydroxypyrene and 2-naphthol in aircraft maintenance workers.
2001 Sep 15
Cooxidation of naphthalene and other polycyclic aromatic hydrocarbons by the nitrifying bacterium, Nitrosomonas europaea.
2002
Nickel-BINAP catalyzed enantioselective alpha-arylation of alpha-substituted gamma-butyrolactones.
2002 Apr 10
The rational design of novel chiral oxovanadium(IV) complexes for highly enantioselective oxidative coupling of 2-naphthols.
2002 Apr 21
Comparison of advanced processes on the oxidation of acid orange 7 dye.
2002 Aug
Azo-dyes photocatalytic degradation in aqueous suspension of TiO2 under solar irradiation.
2002 Dec
Polymer-supported catalysts: enantioselective hydrogenation and hydrogen transfer reduction.
2002 Jul 22
Catalytic asymmetric oxidative couplings of 2-naphthols by tridentate N-ketopinidene-based vanadyl dicarboxylates.
2002 Jul 25
Human urinary carcinogen metabolites: biomarkers for investigating tobacco and cancer.
2002 Jun
Waste-free chemistry of diazonium salts and benign separation of coupling products in solid salt reactions.
2002 Mar 15
Anaerobic decolorisation of simulated textile wastewater containing azo dyes.
2002 May
Enzymatic membrane reactors for biodegradation of recalcitrant compounds. Application to dye decolourisation.
2002 Nov 13
Integrated reactor concepts for the enzymatic kinetic synthesis of cephalexin.
2002 Oct 20
A straightforward synthesis in aqueous medium of enantiomerically. Enriched S(-)2,2'-dihydroxy-1,1'-binaphthyl.
2003
Simultaneous analysis of naphthols, phenanthrols, and 1-hydroxypyrene in urine as biomarkers of polycyclic aromatic hydrocarbon exposure: intraindividual variance in the urinary metabolite excretion profiles caused by intervention with beta-naphthoflavone induction in the rat.
2003 Apr
Highly enantioselective quinoline synthesis via ene-type cyclization of 1,7-enynes catalyzed by a cationic BINAP-palladium(II) complex.
2003 Apr 23
Identification and purification of sulfotransferases for 20-hydroxysteroid from the larval fat body of a fleshfly, Sarcophaga peregrina.
2003 Aug
Use of chiral zwitterionic surfactants for enantiomeric resolutions by capillary electrophoresis.
2003 Aug
Predictive value of comparative molecular field analysis modelling of naphthalene inhibition of human CYP2A6 and mouse CYP2A5 enzymes.
2003 Aug
Altered expression of sulfotransferases, glucuronosyltransferases and mrp transporters in FVB/mrp1-/- mice.
2003 Dec
Study of tropaeolin degradation by iron--proposition of a reaction mechanism.
2003 Dec
Dissolution-aggregation behavior of water-soluble nanographites and their adsorptive characteristics for 2-naphthol in aqueous solutions.
2003 Dec 1
Effect-directed identification of oxygen and sulfur heterocycles as major polycyclic aromatic cytochrome P4501A-inducers in a contaminated sediment.
2003 Jul 15
The application of HPLC-F and GC-MS to the analysis of selected hydroxy polycyclic hydrocarbons in two certified fish bile reference materials.
2003 Jun
High performance degradation of azo dye Acid Orange 7 and sulfanilic acid in a laboratory scale reactor after seeding with cultured bacterial strains.
2003 Jun
Electrophilic substitution of C60F18 into phenols: HF elimination between OH and a 1,3-shifted fluorine giving benzofurano[2',3':10,26]hexadecafluro[60]fullerene and derivatives.
2003 May 21
Determination of manganese (II) in some medicinal plants and their decoctions by a kinetic spectrophotometric method.
2003 May-Jun
Measurement of pesticides and other toxicants in amniotic fluid as a potential biomarker of prenatal exposure: a validation study.
2003 Nov
Urinary biomarkers of exposure to jet fuel (JP-8).
2003 Nov
Cytotoxic isolates of Helicobacter pylori from peptic ulcer diseases decrease K+-dependent ATPase activity in HeLa cells.
2003 Nov 6
Naphthalene--an environmental and occupational toxicant.
2003 Oct
Synthesis of alpha-amino acids via asymmetric phase transfer-catalyzed alkylation of achiral nickel(II) complexes of glycine-derived Schiff bases.
2003 Oct 22
Arginine residues in the active site of human phenol sulfotransferase (SULT1A1).
2003 Sep 19
Effect of reverse micelles on the Rose Bengal-sensitized photo-oxidation of 1- and 2-hydroxynaphthalenes.
2004
Adsorption and biodegradation of azo dye in biofilm processes.
2004
Binary competitive adsorption of naphthalene compounds onto an aminated hypercrosslinked macroporous polymeric adsorbent.
2004
Molecular imprinting made easy.
2004 Jun 30
Simultaneous determination of 1- and 2-naphthol in human urine using on-line clean-up column-switching liquid chromatography-fluorescence detection.
2004 Mar 5
Naphthalene and its biomarkers as measures of occupational exposure to polycyclic aromatic hydrocarbons.
2004 May
Influence of phenylalanines 77 and 138 on the stereospecificity of aryl sulfotransferase IV.
2004 May
Enantioselective O- and N-nitroso aldol synthesis of tin enolates. Isolation of three BINAP-silver complexes and their role in regio- and enantioselectivity.
2004 May 5
Differential pulse polarographic determination of lead in standard alloys and biological samples after separation and preconcentration with PAN.
2004 May-Jun
Synthesis and coordinating ability of an anionic cobaltabisdicarbollide ligand geometrically analogous to BINAP.
2004 Oct 25
Stress regulation of sulfotransferases in male rat liver.
2004 Oct 8
Controlling the regiospecific oxidation of aromatics via active site engineering of toluene para-monooxygenase of Ralstonia pickettii PKO1.
2005 Jan 7
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 10:03:18 UTC 2021
Edited
by admin
on Sat Jun 26 10:03:18 UTC 2021
Record UNII
P2Z71CIK5H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETANAPHTHOL
HSDB   II   MART.   WHO-DD  
Systematic Name English
2-NAPHTHOL [MI]
Common Name English
BETANAPHTHOL [WHO-DD]
Common Name English
TOLNAFTATE IMPURITY A [EP]
Common Name English
BETA-NAPHTHOL
Systematic Name English
NSC-2044
Code English
2-NAPHTHOL
INCI   MI  
INCI  
Official Name English
BETANAPHTHOL [MART.]
Common Name English
.BETA.-NAPHTHOL
Systematic Name English
BETANAPHTHOL [HSDB]
Common Name English
2-NAPHTHOL [INCI]
Common Name English
.BETA.-HYDROXYNAPHTHALENE
Systematic Name English
2-NAPHTHALENOL
Systematic Name English
BETANAPHTHOL [II]
Common Name English
ISONAPHTHOL
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 10301
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
NCI_THESAURUS C250
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
Code System Code Type Description
EPA CompTox
135-19-3
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
CAS
135-19-3
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
NCI_THESAURUS
C81517
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
MERCK INDEX
M7739
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY Merck Index
WIKIPEDIA
2-NAPHTHOL
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
DRUG CENTRAL
3370
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
ChEMBL
CHEMBL14126
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
FDA UNII
P2Z71CIK5H
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
MESH
C028405
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
EVMPD
SUB127015
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
HSDB
6812
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
ECHA (EC/EINECS)
205-182-7
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
PUBCHEM
8663
Created by admin on Sat Jun 26 10:03:18 UTC 2021 , Edited by admin on Sat Jun 26 10:03:18 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
IN VITRO
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP