4-NITROPYRENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H9NO2
Molecular Weight	247.2482
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-NITROPYRENE

Structure Search

SMILES

[O-][N+](=O)C1=CC2=CC=CC3=CC=C4C=CC=C1C4=C23

InChI

InChIKey=UISKIUIWPSPSAV-UHFFFAOYSA-N

InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H

HIDE SMILES / InChI

Molecular Formula	C16H9NO2
Molecular Weight	247.2482
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Tumorigenicity of nitrated derivatives of pyrene, benz[a]anthracene, chrysene and benzo[a]pyrene in the newborn mouse assay.	1986 Aug	3731386
Carcinogenicity of nitropyrenes in the newborn female rat.	1995 Dec	8603480

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:41:32 GMT 2023` Edited by `admin` on `Fri Dec 15 16:41:32 GMT 2023`
Record UNII	XOT1408EDI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-NITROPYRENE

Systematic Name

English

PYRENE, 4-NITRO-

Systematic Name

English

4-NITROPYRENE [HSDB]

Common Name

English

4-NITROPYRENE [IARC]

Common Name

English

NITROPYRENE, 4-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45182

Created by admin on Fri Dec 15 16:41:32 GMT 2023 , Edited by admin on Fri Dec 15 16:41:32 GMT 2023

Code System Code Type Description

NCI_THESAURUS

C44325

Created by admin on Fri Dec 15 16:41:32 GMT 2023 , Edited by admin on Fri Dec 15 16:41:32 GMT 2023

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CAS

57835-92-4

Created by admin on Fri Dec 15 16:41:32 GMT 2023 , Edited by admin on Fri Dec 15 16:41:32 GMT 2023

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FDA UNII

XOT1408EDI

Created by admin on Fri Dec 15 16:41:32 GMT 2023 , Edited by admin on Fri Dec 15 16:41:32 GMT 2023

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HSDB

7769

Created by admin on Fri Dec 15 16:41:32 GMT 2023 , Edited by admin on Fri Dec 15 16:41:32 GMT 2023

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PUBCHEM

62134

Created by admin on Fri Dec 15 16:41:32 GMT 2023 , Edited by admin on Fri Dec 15 16:41:32 GMT 2023

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EPA CompTox

DTXSID5074844

Created by admin on Fri Dec 15 16:41:32 GMT 2023 , Edited by admin on Fri Dec 15 16:41:32 GMT 2023

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