1,6-DINITROBENZO(A)PYRENE

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 Search

SMILES

[O-][N+](=O)C1=C2C=CC3=C4C(C=CC(C=C1)=C24)=C(C5=CC=CC=C35)[N+]([O-])=O

InChI

InChIKey=ZBUIFCQCAOFRJN-UHFFFAOYSA-N

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

Title	Date	PubMed
The role of electronic properties to the mutagenic activity of 1,6- and 3,6-dinitrobenzo[a]pyrene isomers.	2009-01-30	18571843

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:14:22 GMT 2025` Edited by `admin` on `Mon Mar 31 22:14:22 GMT 2025`
Record UNII	A82AB37QSX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

J352.851K

Preferred Name

English

1,6-DINITROBENZO(A)PYRENE

Systematic Name

English

1,6-DNBP

Common Name

English

1,6-DINITROBENZO(PQR)TETRAPHENE

Systematic Name

English

BENZO(A)PYRENE, 1,6-DINITRO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

86386

Created by admin on Mon Mar 31 22:14:22 GMT 2025 , Edited by admin on Mon Mar 31 22:14:22 GMT 2025

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EPA CompTox

DTXSID50155973

Created by admin on Mon Mar 31 22:14:22 GMT 2025 , Edited by admin on Mon Mar 31 22:14:22 GMT 2025

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CAS

128714-75-0

Created by admin on Mon Mar 31 22:14:22 GMT 2025 , Edited by admin on Mon Mar 31 22:14:22 GMT 2025

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FDA UNII

A82AB37QSX

Created by admin on Mon Mar 31 22:14:22 GMT 2025 , Edited by admin on Mon Mar 31 22:14:22 GMT 2025

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