1-NITROBENZO(E)PYRENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H11NO2
Molecular Weight	297.3068
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[O-][N+](=O)C1=C2C3=CC=CC=C3C4=CC=CC5=CC=C(C=C1)C2=C45

InChI

InChIKey=MXWQJYPMZBPDRV-UHFFFAOYSA-N

InChI=1S/C20H11NO2/c22-21(23)17-11-10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)20(17)19(13)18(12)15/h1-11H

HIDE SMILES / InChI

Molecular Formula	C20H11NO2
Molecular Weight	297.3068
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
Microsomal metabolism of 1-nitrobenzo[e]pyrene to a highly mutagenic K-region dihydrodiol.	1988 Jun	3286032

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	1IP76O9Q08
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-NITROBENZO(E)PYRENE

Systematic Name

English

BENZO(E)PYRENE, 1-NITRO-

Systematic Name

English

8-NITROBENZO(E)PYRENE

Systematic Name

English

1-NITRO-BEP

Common Name

English

J764.627E

Code

English

Code System Code Type Description

FDA UNII

1IP76O9Q08

Created by admin on Sat Dec 16 07:58:50 GMT 2023 , Edited by admin on Sat Dec 16 07:58:50 GMT 2023

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EPA CompTox

DTXSID10919871

Created by admin on Sat Dec 16 07:58:50 GMT 2023 , Edited by admin on Sat Dec 16 07:58:50 GMT 2023

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CAS

91259-16-4

Created by admin on Sat Dec 16 07:58:50 GMT 2023 , Edited by admin on Sat Dec 16 07:58:50 GMT 2023

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PUBCHEM

114893

Created by admin on Sat Dec 16 07:58:50 GMT 2023 , Edited by admin on Sat Dec 16 07:58:50 GMT 2023

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