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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6
Molecular Weight 78.1118
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENE

SMILES

C1=CC=CC=C1

InChI

InChIKey=UHOVQNZJYSORNB-UHFFFAOYSA-N
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

HIDE SMILES / InChI

Description

Phenyl sodium is organometallic compound. It is used to carry exchange reactions to produce phenylmalonic acid.

Originator

Acree, S.F.
2
Curator's Comment: Am. Chem. Journal, 29, 589 (1903).

Approval Year

2016
495
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Induction of apoptosis by remoxipride metabolites in HL60 and CD34+/CD19- human bone marrow progenitor cells: potential relevance to remoxipride-induced aplastic anemia.
1999 Aug 1
Absorption, metabolism, and disposition of 1,3-diphenyl-1-triazene in rats and mice after oral, i.v., and dermal administration.
1999 Dec
Metabolism of benzene in human liver microsomes: individual variations in relation to CYP2E1 expression.
1999 Feb
Interferon-induced proteins are elevated in blood samples of patients with chemically or virally induced chronic fatigue syndrome.
1999 May
Benzene in blood as a biomarker of low level occupational exposure.
1999 Sep 1
Biomarkers of dose and susceptibility in cyclists exposed to monoaromatic hydrocarbons.
1999 Sep 5
Bioconversion of vitamin E acetate in human skin.
2001
Caffeic acid phenethyl ester (CAPE): synthesis and X-ray crystallographic analysis.
2001 Feb
Absorption spectroscopic study of EDA complexes of.
2001 Feb
Sensitive and rapid method for the simultaneous quantification of the HIV-protease inhibitors indinavir, nelfinavir, ritonavir, and saquinavir in human plasma by reversed-phase liquid chromatography.
2001 Feb
Application of rat hepatocyte culture to predict in vivo metabolic auto-induction: studies with DFP, a cyclooxygenase-2 inhibitor.
2001 Feb
Protective effects of SM-20302, an orally active GPIIb/IIIa antagonist, in an ADP/epinephrine-induced guinea pig model of transient cerebral ischemia.
2001 Feb 1
Adsorbate-substrate vibrational modes of benzene on Ag(110) resolved with scanning tunneling spectroscopy.
2001 Feb 5
Enhancement, relaxation, and reversal of the stereoselectivity for phosphotriesterase by rational evolution of active site residues.
2001 Feb 6
Characterization of emissions during the heating of tyre contaminated scrap.
2001 Feb-Mar
An experimental and numerical study of the thermal oxidation of chlorobenzene.
2001 Feb-Mar
The disposition and metabolism of durene (1,2,4,5-tetramethylbenzene) in rats.
2001 Jan
[[Physical chemical, pharmacological and toxicologic properties of fomocaine metabolites] ].
2001 Jan
Desulfosporosinus meridiei sp. nov., a spore-forming sulfate-reducing bacterium isolated from gasolene-contaminated groundwater.
2001 Jan
Electric field-induced mobilisation of multiphase solution systems based on the nitration of benzene in a micro reactor.
2001 Jan
N-nitrosoanilines: a new class of caspase-3 inhibitors.
2001 Jan
Chromosome 11 allelotypes reflect a mechanism of chemical carcinogenesis in heterozygous p53-deficient mice.
2001 Jan
Molecular oxygen spin-lattice relaxation in solutions measured by proton magnetic relaxation dispersion.
2001 Jan
Quantification of derivatives of bisphenol A diglycidyl ether (BADGE) and novolac glycidyl ether (NOGE) migrated from can coatings into tuna by HPLC/fluorescence and MS detection.
2001 Jan 2
Catalytic hydrodechlorination of tetrachloroethylene over red mud.
2001 Jan 29
Investigation of the in vitro metabolism profile of a phosphodiesterase-IV inhibitor, CDP-840: leading to structural optimization.
2001 Mar
In vitro inhibition of cytochrome P450 enzymes in human liver microsomes by a potent CYP2A6 inhibitor, trans-2-phenylcyclopropylamine (tranylcypromine), and its nonamine analog, cyclopropylbenzene.
2001 Mar
Interactions of tryptamine derivatives with serotonin transporter species variants implicate transmembrane domain I in substrate recognition.
2001 Mar
Patents

Patents

US 1942800
2
US 2012372
2

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Name Type Language
BENZENE
HSDB   MART.   MI   VANDF   WHO-DD  
Systematic Name English
BENZENE [IARC]
Common Name English
COAL NAPHTHA
Common Name English
BENZENE [USP-RS]
Common Name English
BIPERIDEN HYDROCHLORIDE IMPURITY F [EP IMPURITY]
Common Name English
1,3,5-CYCLOHEXATRIENE
Systematic Name English
BENZENE (BENZOL)
Systematic Name English
BENZENE [MART.]
Common Name English
BENZENE [HSDB]
Common Name English
NCI-C55276
Common Name English
ACETONE IMPURITY C [EP IMPURITY]
Common Name English
NSC-67315
Code English
CYCLOHEXATRIENE
Systematic Name English
Benzene [WHO-DD]
Common Name English
BENZINUM [HPUS]
Common Name English
BENZENE [VANDF]
Common Name English
BENZINUM
HPUS  
Common Name English
BENZENE [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C44351
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
IARC Benzene
NCI_THESAURUS C1915
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
200-753-7
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
HSDB
34
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
MESH
D001554
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
NCI_THESAURUS
C302
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
RS_ITEM_NUM
1601146
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
EVMPD
SUB13010MIG
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
MERCK INDEX
m2338
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY Merck Index
NSC
67315
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID3039242
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
CAS
71-43-2
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
DAILYMED
J64922108F
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
CHEBI
16716
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
RXCUI
1311295
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY RxNorm
FDA UNII
J64922108F
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
SMS_ID
100000077173
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
PUBCHEM
241
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
WIKIPEDIA
BENZENE
Created by admin on Fri Dec 15 15:00:54 GMT 2023 , Edited by admin on Fri Dec 15 15:00:54 GMT 2023
PRIMARY
ACTIVE MOIETY
Structure of BENZENE
METABOLITE (PARENT)
Structure of MUCONIC ACID
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
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