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Details

Stereochemistry ACHIRAL
Molecular Formula C20H10N2O4
Molecular Weight 342.3044
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6-DINITROBENZO(A)PYRENE

SMILES

[O-][N+](=O)C1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C=C1)[N+]([O-])=O

InChI

InChIKey=FZBOFNLBBMIJMT-UHFFFAOYSA-N
InChI=1S/C20H10N2O4/c23-21(24)17-10-6-11-5-7-13-12-3-1-2-4-14(12)20(22(25)26)16-9-8-15(17)18(11)19(13)16/h1-10H

HIDE SMILES / InChI

Molecular Formula C20H10N2O4
Molecular Weight 342.3044
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Detection of a novel mutagen, 3,6-dinitrobenzo[e]pyrene, as a major contaminant in surface soil in Osaka and Aichi Prefectures, Japan.
2005 Feb
Determination of 3,6-dinitrobenzo[e]pyrene in surface soil and airborne particles by high-performance liquid chromatography with fluorescence detection.
2006 Nov 24
Mutagenicity of surface soil from residential areas in Kyoto city, Japan, and identification of major mutagens.
2008 Jan 8
Genotoxic activation of the environmental pollutant 3,6-dinitrobenzo[e]pyrene in Salmonella typhimurium umu strains expressing human cytochrome P450 and N-acetyltransferase.
2009 Aug 10
The role of electronic properties to the mutagenic activity of 1,6- and 3,6-dinitrobenzo[a]pyrene isomers.
2009 Jan 30
Genotoxicity of 3,6-dinitrobenzo[e]pyrene, a novel mutagen in ambient air and surface soil, in mammalian cells in vitro and in vivo.
2009 May
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:58:50 GMT 2023
Edited
by admin
on Sat Dec 16 07:58:50 GMT 2023
Record UNII
0F54JZ113B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,6-DINITROBENZO(A)PYRENE
Systematic Name English
J352.852I
Code English
BENZO(A)PYRENE, 3,6-DINITRO-
Systematic Name English
3,6-DINITROBENZOPYRENE
Common Name English
3,6-DNBP
Common Name English
3,6-DINITROBENZO(PQR)TETRAPHENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10155974
Created by admin on Sat Dec 16 07:58:50 GMT 2023 , Edited by admin on Sat Dec 16 07:58:50 GMT 2023
PRIMARY
PUBCHEM
86387
Created by admin on Sat Dec 16 07:58:50 GMT 2023 , Edited by admin on Sat Dec 16 07:58:50 GMT 2023
PRIMARY
CAS
128714-76-1
Created by admin on Sat Dec 16 07:58:50 GMT 2023 , Edited by admin on Sat Dec 16 07:58:50 GMT 2023
PRIMARY
FDA UNII
0F54JZ113B
Created by admin on Sat Dec 16 07:58:50 GMT 2023 , Edited by admin on Sat Dec 16 07:58:50 GMT 2023
PRIMARY