Salinazid (CED0039579)

Record Information

Version

1.0

Creation Date

2016-05-22 05:38:13 UTC

Update Date

2026-08-18 22:42:03 UTC

Accession Number

CHEM018890

Identification

Common Name

Salinazid

Class

Small Molecule

Description

Salinazid is an organic compound with the formula C13H11N3O2 and an average molecular weight of 241.25 g/mol. Salinazid belongs to the pyridinecarboxylic acids and derivatives, a subclass of pyridines and derivatives within the organic compounds. It is categorized under the superclass of organoheterocyclic compounds. This substance has been identified in or released from two recorded sources: antennas within electrical and electronic equipment, and fish processing within food, food processing and cookware.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Fe-salicylaldehyde isonicotinoylhydrazone	MeSH
Ferric-salicylaldehyde isonicotinoyl hydrazone	MeSH

Chemical Formula

C₁₃H₁₁N₃O₂

Average Molecular Mass

241.250 g/mol

Monoisotopic Mass

241.085 g/mol

CAS Registry Number

495-84-1

IUPAC Name

N'-[(1E)-(2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide

Traditional Name

salinazid

SMILES

[H]\C(=N/NC(=O)C1=CC=NC=C1)C1=CC=CC=C1O

InChI Identifier

InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+

InChI Key

VBIZUNYMJSPHBH-OQLLNIDSSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. Pyridinecarboxylic acids and derivatives are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Pyridinecarboxylic acids and derivatives

Direct Parent

Pyridinecarboxylic acids and derivatives

Alternative Parents

Substituents

Pyridine carboxylic acid or derivatives
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Heteroaromatic compound
Carboxylic acid derivative
Azacycle
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.31 g/L	ALOGPS
logP	2.01	ALOGPS
logP	1.44	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	8.73	ChemAxon
pKa (Strongest Basic)	3.03	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.58 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	68.06 m³·mol⁻¹	ChemAxon
Polarizability	24.57 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0490000000-affb6a4251a6b64812a5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006x-2690000000-04c71d0556baff6a0d85	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052r-4900000000-842d0dfd5161db73b962	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0290000000-a7482e587f5441c29f6c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-4980000000-0b37ae8aeb57be56c538	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kf-9600000000-8aabc891a35ad1009592	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1600.0	Log mg/kg	[900:2800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	0.467095
Click to view 3D structure	Histone chaperone ASF1A	Q9Y294	Humans	Predicted (SEA)	0.389246
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	2.25763
Click to view 3D structure	Krueppel-like factor 5	Q13887	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Protein phosphatase EYA2	O00167	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	7.94062
Click to view 3D structure	Dual specificity protein phosphatase 3	P51452	Humans	Predicted (SEA)	3.26967
Click to view 3D structure	Intestinal-type alkaline phosphatase	P24822	Mus musculus	Predicted (SEA)	2.41333
Click to view 3D structure	Myeloperoxidase	P05164	Humans	Predicted (SEA)	5.52729
Click to view 3D structure	Nuclear receptor coactivator 3	Q9Y6Q9	Humans	Predicted (SEA)	0.856341
Click to view 3D structure	Type-1 angiotensin II receptor	P30556	Humans	Predicted (SEA)	64.537
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 11	Q06124	Humans	Predicted (SEA)	8.09632
Click to view 3D structure	Intestinal-type alkaline phosphatase	P09923	Humans	Predicted (SEA)	0.778492
Click to view 3D structure	Tegument protein VP16	P06492	Herpes simplex virus (type 1 / strain 17)	Predicted (SEA)	1.24559
Click to view 3D structure	Aminopeptidase N	O96935	Plasmodium falciparum FcB1/Columbia	Predicted (SEA)	2.80257
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	50.9134
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	305.947
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	404.582
Click to view 3D structure	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Q9GZU7	Humans	Predicted (SEA)	18.5281
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 5	P54829	Humans	Predicted (SEA)	2.33548
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	34.4094
Click to view 3D structure	Zinc finger protein mex-5	Q9XUB2	Caenorhabditis elegans	Predicted (SEA)	4.82665
Click to view 3D structure	Beta-adrenergic receptor kinase 1	P25098	Humans	Predicted (SEA)	13.0008
Click to view 3D structure	G protein-coupled receptor kinase 5	P34947	Humans	Predicted (SEA)	142.853
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	27.0137