| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 12 | Yes |
Popular Name: Tolazoline hydrochloride Tolazoline hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 59-97-2 , 59-97-2, 59-98-3 [tolazol , 59-97-2, 59-98-3 [tolazoline] , 59-98-3 , 936-49-2 , [59-97-2]
"2-Benzyl-2-imidazoline hydrochloride, 99%"
1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-
1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)- (9CI)
2-(phenylmethyl)-4,5-dihydro-1H-imidazole
2-Benzyl-2-imidazoline hydrochloride
2-Benzyl-2-imidazoline hydrochloride, 99%
2-Benzyl-2-imidazoline; 2-Benzyl-4,5-imidazoline; 2-Benzylimidazoline
2-Benzyl-4,5-dihydro-1H-imidazole
2-benzyl-4,5-dihydro-1H-imidazole hydrochloride
2-Benzyl-4,5-dihydro-1H-imidazolehydrochloride
4,5-Dihydro-2-(phenylmethyl)-1H-imidazole
4,5-Dihydro-2-(phenylmethyl)-1H-imidazole; 59-98-3; C07147; Tolazoline
4,5-Dihydro-2-phenyl-1H-imidazole
5-23-06-00488 (Beilstein Handbook Reference)
59-97-2; D00997; Priscoline (TN); Tolazoline hydrochloride (JAN/USP)
59-97-2; Prestwick_770; Tolazoline hydrochloride
59-98-3; D08614; Tolazine [veterinary] (TN); Tolazoline (INN)
CPD000149600; Priscoline; SAM002589935
| 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) | 1.69 | 4.32 | -30.42 | 2 | 2 | 1 | 26 | 161.228 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.104 | Bitter DB |
| ALOGPS_SOLUBILITY | 1.36e+00 g/l | DrugBank-approved |
| Mp [°C] | 172 - 176 | Acros Organics |
| Melting_Point | 174-176? | Alfa-Aesar |
| Melting_Point | 174-176° | Alfa-Aesar |
| MP | 66 - 69 | Enamine Building Blocks |
| MP | 66...69 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Melting_Point | 99-104? | Alfa-Aesar |
| Melting_Point | 99-104° | Alfa-Aesar |
| Therapy | adrenergic blocker | SMDC Iconix |
| Target | Adrenergic Receptor | Selleck Chemicals |
| Patent Database Links | EP1568770; EP1621192; EP1754712; EP1762236; EP1852422; US2002061879; US2002143007; US2004092536; US2004254182; US2005065161; US2005187222; US2007190023; US2007197621; US2007207222; US2007231390; US2007232698; US2007238762; US2007248677; US2008255073; WO20 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-2834; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE CRYSTALS; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| UniProt Database Links | OAR1_LOCMI | ChEBI |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| Indications | peripheral vasodilator | KeyOrganics Bioactives |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-2834; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE CRYSTALS | NIH Clinical Collection via PubChem |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 280 | 0.76 | Binding ≤ 10μM |
| ADA2B-3-E | Alpha-2b Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 280 | 0.76 | Binding ≤ 10μM |
| ADA2C-3-E | Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 280 | 0.76 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 2100 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 180 | 0.79 | Binding ≤ 1μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 180 | 0.79 | Binding ≤ 1μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 180 | 0.79 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 2100 | 0.66 | Binding ≤ 10μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 180 | 0.79 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 180 | 0.79 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 180 | 0.79 | Binding ≤ 10μM |
| 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 |
No pre-computed analogs available. Try a structural similarity search.