1,3-DINITRONAPHTHALENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H6N2O4
Molecular Weight	218.1656
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,3-DINITRONAPHTHALENE

Structure Search

SMILES

[O-][N+](=O)C1=CC(=C2C=CC=CC2=C1)[N+]([O-])=O

InChI

InChIKey=ULALSFRIGPMWRS-UHFFFAOYSA-N

InChI=1S/C10H6N2O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h1-6H

HIDE SMILES / InChI

Molecular Formula	C10H6N2O4
Molecular Weight	218.1656
Charge	0
Count

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Glutathione S-transferase Mu 1 2 Target ID: CHEMBL2081 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24929189	Inhibitor 8504		1.3 µM [IC50]
Glutathione S-transferase Mu 2 1 Target ID: CHEMBL4589 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24929189	Inhibitor 8504		1.3 µM [IC50]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:39:38 GMT 2025` Edited by `admin` on `Mon Mar 31 19:39:38 GMT 2025`
Record UNII	D55U333CQS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-74478

Preferred Name

English

1,3-DINITRONAPHTHALENE

Systematic Name

English

DINITRONAPHTHALENE, 1,3-

Systematic Name

English

NAPHTHALENE, 1,3-DINITRO-

Systematic Name

English

Code System Code Type Description

FDA UNII

D55U333CQS

Created by admin on Mon Mar 31 19:39:38 GMT 2025 , Edited by admin on Mon Mar 31 19:39:38 GMT 2025

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CAS

606-37-1

Created by admin on Mon Mar 31 19:39:38 GMT 2025 , Edited by admin on Mon Mar 31 19:39:38 GMT 2025

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EPA CompTox

DTXSID9025164

Created by admin on Mon Mar 31 19:39:38 GMT 2025 , Edited by admin on Mon Mar 31 19:39:38 GMT 2025

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PUBCHEM

11818

Created by admin on Mon Mar 31 19:39:38 GMT 2025 , Edited by admin on Mon Mar 31 19:39:38 GMT 2025

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CHEBI

50638

Created by admin on Mon Mar 31 19:39:38 GMT 2025 , Edited by admin on Mon Mar 31 19:39:38 GMT 2025

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NSC

74478

Created by admin on Mon Mar 31 19:39:38 GMT 2025 , Edited by admin on Mon Mar 31 19:39:38 GMT 2025

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ECHA (EC/EINECS)

210-116-5

Created by admin on Mon Mar 31 19:39:38 GMT 2025 , Edited by admin on Mon Mar 31 19:39:38 GMT 2025

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