| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 16 | Yes |
Popular Name: Naphazoline hydrochloride Naphazoline hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5144-52-5 , 550-99-2 , 550-99-2, 835-31-4 [napha , 550-99-2, 835-31-4 [naphazoline] , 835-31-4 , [5144-52-5] , [550-99-2] , [835-31-4]
"Naphazoline hydrochloride, 99%"
1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-
2-(1-Naphthylmethyl)-2-imidazoline
2-(1-Naphthylmethyl)-2-imidazoline hydrochloride
2-(1-Naphthylmethyl)-2-imidazoline hydrochloride, 99%
2-(1-Naphthylmethyl)-2-imidazoline nitrate
2-(1-Naphthylmethyl)-2-imidazoline nitrate, 99%
2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazole
2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazole hydrochloride
2-(1-Naphthylmethyl)-4,5-dihydro-1H-imidazole nitrate
2-(alpha-Naphthylmethyl)-imidazoline
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole hydrochloride
2-(Naphthyl-(1')-methyl)imidazolin
2-(Naphthyl-(1')-methyl)imidazolin [German]
2-Imidazoline, 2-(1-naphthylmethyl)-
4,5-Dihydro-2-(1-naphthylmethyl)imidazole
5-23-08-00293 (Beilstein Handbook Reference)
5144-52-5; D01021; Naphazoline nitrate (JP16); Privine (TN)
550-99-2; C07898; Naphazoline hydrochloride
550-99-2; Naphazoline hydrochloride; Prestwick_507
835-31-4; D08253; Nafazolin (TN); Naphazoline (INN)
Albalon; CPD000058292; SAM002554916
alpha-Naphthylmethyl imidazoline
CPD000058292; Naphazoline hydrochloride; SAM002554916
FDA); Naphazoline Nitrate (JAN)
INN); Naphazoline Hydrochloride (FDA
Naphazoline hydrochloride (Naphcon)
| 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) | 2.85 | 6.52 | -32.58 | 2 | 2 | 1 | 26 | 211.288 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 3.99 | Bitter DB |
| Melting_Point | 168-170? | Alfa-Aesar |
| Melting_Point | 168-170° | Alfa-Aesar |
| Mp [°C] | 254 - 260 | Acros Organics |
| Melting_Point | 257-261? | Alfa-Aesar |
| Melting_Point | 257-261° | Alfa-Aesar |
| MP | 258 | TCI |
| ALOGPS_SOLUBILITY | 3.81e-02 g/l | DrugBank-approved |
| Therapy | adrenergic agonist, nasal decongestant | SMDC Iconix |
| Target | Adrenergic Receptor | Selleck Chemicals |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H311: Toxic in contact with skin | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : N-7388; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
| R phrase | R24/25: Toxic in contact with skin and if swallowed. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: N-7388; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| Hazard | T: Toxic | Acros Organics |
| Purity | USP24; BP98 | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 6 | 0.72 | Binding ≤ 10μM |
| ADA2B-4-E | Alpha-2b Adrenergic Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 6 | 0.72 | Binding ≤ 10μM |
| ADA2C-3-E | Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 6 | 0.72 | Binding ≤ 10μM |
| NISCH-2-E | Nischarin (cluster #2 Of 4), Eukaryotic | Eukaryotes | 122 | 0.60 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 410 | 0.56 | Binding ≤ 10μM |
| Z50425-7-O | Plasmodium Falciparum (cluster #7 Of 22), Other | Other | 10000 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 12 | 0.69 | Binding ≤ 1μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 0.1 | 0.88 | Binding ≤ 1μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 4.8 | 0.73 | Binding ≤ 1μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 4.8 | 0.73 | Binding ≤ 1μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 0.1 | 0.88 | Binding ≤ 1μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 4.8 | 0.73 | Binding ≤ 1μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 0.1 | 0.88 | Binding ≤ 1μM |
| NISCH_HUMAN | Q9Y2I1 | Nischarin, Human | 121.6 | 0.61 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 12 | 0.69 | Binding ≤ 10μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 4.8 | 0.73 | Binding ≤ 10μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 0.1 | 0.88 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 4.8 | 0.73 | Binding ≤ 10μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 0.1 | 0.88 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 4.8 | 0.73 | Binding ≤ 10μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 0.1 | 0.88 | Binding ≤ 10μM |
| NISCH_HUMAN | Q9Y2I1 | Nischarin, Human | 121.6 | 0.61 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.44 | Functional ≤ 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.