UCSF

ZINC00113426

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 15 Yes

Popular Name: Tetrahydrozoline hydrochloride Tetrahydrozoline hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 118201-38-0 , 522-48-5 , 522-48-5, 84-22-0 [tetrah , 522-48-5, 84-22-0 [tetrahydrozoline] , 84-22-0 , [522-48-5]

Other Names:

1H-imidazole, 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-, hydrochloride

1H-imidazole, 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-, monohydrochloride

1H-Imidazole, 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-, monohydrochloride; 2-(1,2,3,4-Tetrahydro-1-naphthyl)-2-imidazoline hydrochloride; 2-(1,2,3,4-Tetrahydro-1-naphthyl)-2-imidazoline monohydrochloride; 2-Imidazoline, 2-(1,2,3,4-tetrahydro-1-n

2-(1,2,3,4-Tetrahydro-1-naphthyl)-2-imidazoline; 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-1H-imidazole; Tetryzoline

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

2-Tetralin-1-yl-4,5-dihydro-1H-imidazole; 84-22-0; C07912; Tetrahydrozoline; Tetryzoline

522-48-5; D01023; Tetrahydrozoline hydrochloride (JAN/USP); Tyzine (TN)

522-48-5; Prestwick_1025; Tetrahydrozoline hydrochloride

84-22-0; Caltheon (TN); D08578; Tetrahydrozoline; Tetryzoline (INN)

BAN

BAN); Tetrahydrozoline HCl (FDA

BRD-A28856712-003-05-4

C13H16N2; LS-176618; tetrahydrozoline, (+-)-isomer

CHEBI:26927; CHEBI:9491

CPD000058219; SAM002264650; Tetrahydrozoline hydrochloride; Tyzine

CPD000058219; SAM002264650; Tyzine

DCF

DCF); Tetrahydrozoline HCl (FDA

INN); Tetryzoline Hydrochloride (JAN)

MFCD00058029

MFCD00216026

N/A

QA-6779

teetryzoline; tetryzolina; tetryzoline; tetryzolinum

Tetrahydrozoline

Tetrahydrozoline HCl

Tetrahydrozoline Hydrochloride (FDA

Tetrahydrozoline nitrate

Tetryzoline

Tetryzoline (INN

Tetryzoline (Tetrahydrozoline)

USP); Tetrahydrozoline Nitrate (JAN); Tetryzoline (BAN

USP); Tetrahydrozoline Nitrate (JAN); Tetryzoline HCl (JAN)

VISINE

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 5.96 -29.13 2 2 1 26 201.293 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Therapy adrenergic agonist, nasal decongestant SMDC Iconix
Target Adrenergic Receptor Selleck Chemicals
Patent Database Links EP1283043; EP1685843; EP1967186; US2007202051; US2007207222; US2007264318; US2007265234; WO2007103555; WO2007103687 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-7957; 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: T-7957; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA2A-1-E Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 30 0.70 Binding ≤ 10μM
ADA2B-1-E Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 30 0.70 Binding ≤ 10μM
ADA2C-1-E Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 30 0.70 Binding ≤ 10μM
Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other Other 1600 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 30 0.70 Binding ≤ 1μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 30 0.70 Binding ≤ 1μM
ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 30 0.70 Binding ≤ 1μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 1600 0.54 Binding ≤ 10μM
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 30 0.70 Binding ≤ 10μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 30 0.70 Binding ≤ 10μM
ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 30 0.70 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenaline signalling through Alpha-2 adrenergic receptor
Adrenaline,noradrenaline inhibits insulin secretion
Adrenoceptors
G alpha (i) signalling events
G alpha (z) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.