CAS 522-48-5|visine hydrochloride|2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride|TETRAHYDROZOLINE HYDROCHLORIDE|Tetrahydrozoline hydrochloride|Tetrahydrozoline HCl|Visl...

General Information

Structure

Molecular Formula

C₁₃H₁₇ClN₂

Molecular Mass

236.74048

Exact Mass

236.10802623

Charge

InChI

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

InChIKey

BJORNXNYWNIWEY-UHFFFAOYSA-N

Canonic Smiles

C1CN=C(N1)C1CCCc2c1cccc2.Cl

Isomeric Smiles

Cl.C1CC(C2=NCCN2)c2ccccc2C1

Calculated Properties

JChem

LogD (pH = 7.4)

-0.02

LogD (pH = 5.5)

-0.17

Log P

2.24

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

10.17

Polar Surface Area

24.39

Polarizability

22.93

Molar Refractivity

61.48

LOG S

-2.52

Data Source

Names and Identifiers

IUPAC Traditional name

visine hydrochloride tetrahydrozoline hydrochloride

IUPAC name

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

Synonyms

TETRAHYDROZOLINE HYDROCHLORIDETetrahydrozoline HClTetrahydrozoline hydrochlorideTyzine2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochlorideVislinTyzanol hydrochlorideTizineTyzanolTinarhininVisine hydrochlorideTetryzoline hydrochlorideYxinVisineSoothe4,5-Dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-1H-imidazole HydrochlorideMurine PlusTyzine hydrochloridetetrahydrozoline hydrochloridetetrahydrozoline HCltetryzoline HCltetrahydrozoline hydrochloridetetryzoline hydrochloridetetrahydrozoline monohydrochloride2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline monohydrochloride2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline hydrochloridetyzanol hydrochloride

API Name

Tetryzoline hydrochloride

Brand Name

VisineTyzineMurine PlusVasopos

Names and Identifiers

Registration numbers

CAS Number

522-48-5

EC Number

208-329-3

PubChem CID

10648

PubChem SID

16209202924278736332875453

MDL Number

DrugBank ID

ACToR Database

CHEMBL

PubMed Citation Links

1329414337938272712342926921897717566712387333133454231364099797577191439792313295949133399156480751265472971068387129403723

CHEBI ID

CompTox Database

KEGG DRUG Database

SureChEMBL Database

Registration numbers

Properties

Pharmacology Properties

human ... ADRA1A(148), ADRA1B(147), ADRA1D(146), ADRA2A(150), ADRA2B(151), ADRA2C(152)

Adrenergic Receptor

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02156806

Hydrochloride
Crystalline

Sigma Aldrich

T4264

Biochem/physiol Actions
α-adrenoceptor agonist; imidazoline binding site ligand; vasoconstrictor.

TRC

T296100

An alpha agonist, causing constriction of conjunctival blood vessels. Used in over-the-counter eye drops, this compound relieves the redness left by ocular irritants.

ChEBI

CHEBI:9492

The hydrochloride salt of tetryzoline. It is used as a nasal decongestant.

Molecule Details

References

PubChem Literature

From Data Sources

• Rosenthal, R., et al.: J. Ocular Pharmacol. Ther., 22, 440 (2005)

• Marrero-Ponce, Y., et al.: Bioorg. Med. Chem., 13, 2881 (2005)

• Sabio, S., et al.: J. App. Oral Sci., 16, 280 (2005)

• Sandri, G., et al.: Eur. J. Pharm. Biopharm., 62, 59 (2005)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

visine hydrochloride tetrahydrozoline hydrochloride

IUPAC name

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

Synonyms

API Name

Tetryzoline hydrochloride

Brand Name

VisineTyzineMurine PlusVasopos

Registration numbers

CAS Number

522-48-5

EC Number

208-329-3

PubChem CID

10648

PubChem SID

16209202924278736332875453

MDL Number

DrugBank ID

ACToR Database

CHEMBL

PubMed Citation Links

1329414337938272712342926921897717566712387333133454231364099797577191439792313295949133399156480751265472971068387129403723

CHEBI ID

CompTox Database

KEGG DRUG Database

SureChEMBL Database

Molecule Details

Hydrochloride
Crystalline

Sigma Aldrich

T4264

Biochem/physiol Actions
α-adrenoceptor agonist; imidazoline binding site ligand; vasoconstrictor.

TRC

T296100

An alpha agonist, causing constriction of conjunctival blood vessels. Used in over-the-counter eye drops, this compound relieves the redness left by ocular irritants.

ChEBI

CHEBI:9492

The hydrochloride salt of tetryzoline. It is used as a nasal decongestant.

References

PubChem Literature

From Data Sources

• Rosenthal, R., et al.: J. Ocular Pharmacol. Ther., 22, 440 (2005)

• Marrero-Ponce, Y., et al.: Bioorg. Med. Chem., 13, 2881 (2005)

• Sabio, S., et al.: J. App. Oral Sci., 16, 280 (2005)

• Sandri, G., et al.: Eur. J. Pharm. Biopharm., 62, 59 (2005)

Bioactivity

PubChem BioAssay

Properties

Pharmacology Properties

human ... ADRA1A(148), ADRA1B(147), ADRA1D(146), ADRA2A(150), ADRA2B(151), ADRA2C(152)

Adrenergic Receptor

Molecule

ID:104684