ContaminantDB: Tetrahydrozoline hydrochloride

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-22 05:05:22 UTC

Update Date

2026-04-05 17:49:24 UTC

Accession Number

CHEM018242

Identification

Common Name

Tetrahydrozoline hydrochloride

Class

Small Molecule

Description

Not Available

Contaminant Sources

ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Tyzine	Kegg
Tetraclear	MeSH
2-(1,2,3,4-tetrahydro-1-Naphthyl)-2-imidazoline	MeSH
Caltheon	MeSH
Collyrium fresh	MeSH
Vasopos	MeSH
Tetrahydrozoline, (+-)-isomer	MeSH
Berberil N	MeSH
Murine plus	MeSH
Tetrahydrozoline hydrochloride	MeSH
Tetrahydrozoline monohydrochloride	MeSH
Ophtalmin	MeSH
Tetra-ide	MeSH
Tetrilin	MeSH
Optigene	MeSH
Vispring	MeSH
Tetrahydrozoline, (-)-isomer	MeSH
Diabenyl T	MeSH
Eye-zine	MeSH
Murine sore eyes	MeSH
Optazine fresh	MeSH
Rhinopront	MeSH
Visine	MeSH
Eye-sine	MeSH
Yxin	MeSH
Tetrahydrozoline	MeSH
Tetryzoline	MeSH

Chemical Formula

C₁₃H₁₇ClN₂

Average Molecular Mass

236.740 g/mol

Monoisotopic Mass

236.108 g/mol

CAS Registry Number

522-48-5

IUPAC Name

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride

Traditional Name

visine hydrochloride

SMILES

Cl.C1CN=C(N1)C1CCCC2=CC=CC=C12

InChI Identifier

InChI=1S/C13H16N2.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);1H

InChI Key

BJORNXNYWNIWEY-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Tetralins

Sub Class

Not Available

Direct Parent

Tetralins

Alternative Parents

Substituents

Tetralin
Imidolactam
2-imidazoline
Amidine
Carboxylic acid amidine
Carboximidamide
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organoheterocyclic compound
Azacycle
Organic nitrogen compound
Organonitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Hydrochloride
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

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	0.24 g/L	ALOGPS
logP	3.11	ALOGPS
logP	2.24	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Basic)	10.17	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	24.39 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	61.48 m³·mol⁻¹	ChemAxon
Polarizability	23.01 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-qTof , Positive	splash10-004r-0193400000-8d271e96e93dd7a1fd8d	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-qTof , Positive	splash10-0f89-4930000000-c7463ba501a012e45511	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , positive	splash10-0udi-0290000000-424ecf28966f77ec3b1d	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , positive	splash10-0f89-4930000000-c7463ba501a012e45511	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0090000000-308b54f6dcc5357cede7	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0090000000-308b54f6dcc5357cede7	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-0090000000-308b54f6dcc5357cede7	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-0090000000-f079fea3c22dfb93c991	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-0090000000-f079fea3c22dfb93c991	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000i-0090000000-f079fea3c22dfb93c991	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DBSALT001254

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

10648

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Tetrahydrozoline hydrochloride (CHEM018242)

Structure for CHEM018242: Tetrahydrozoline hydrochloride