| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 26 | Yes |
Popular Name: Hydroxyzine dihydrochloride Hydroxyzine dihydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 10246-75-0, 68-88-2 [hydr , 1244-76-4 , 2192-20-3 , 68-88-2 , [163837-38-5] , [2192-20-3] , [68-88-2]
"Hydroxyzine dihydrochloride, 98%"
(±)-2-(2-{4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl}ethoxy)ethanol hydrochloride
1-(p-Chloro-.alpha.-phenylbenzyl)-4-[2-[(2-hydroxyethoxy)ethyl]piperazine
1-(p-Chloro-alpha-phenylbenzyl)-4-(2-(2-hydroxyethoxy)ethyl)piperazine
1-(p-Chloro-alpha-phenylbenzyl)-4-(2-hydroxyethoxyethyl)piperazine
1-(p-Chlorobenzhydryl)-4-(2-(2-hydroxyethoxy)ethyl)diethylenediamine
1-(p-Chlorobenzhydryl)-4-(2-(2-hydroxyethoxy)ethyl)piperazine
1-(p-Chlorobenzhydryl)-4-[2-(2-hydroxyethoxy)ethyl]diethylenediamine
1-(p-Chlorobenzhydryl)-4-[2-(2-hydroxyethoxy)ethyl]piperazine
1-(p-Chlorodiphenylmethyl)-4-(2-(2-hydroxyethoxy)ethyl)piperazine
1-(p-Chlorodiphenylmethyl)-4-[2-(2-hydroxyethoxy)ethyl]piperazine
2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)-piperazin-1-yl)ethoxy)ethanol
2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethanol
2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethanol dihydrochloride
2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethanoldihydrochloride
2-(2-(4-((4-Chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethanol
2-(2-(4-(p-Chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)ethanol
2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethanol
2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethanol dihydrochloride
2-[(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethyl)oxy]ethanol
2-[2-[4-(p-Chloro-.alpha.-phenylbenzyl)-1-piperazinyl]ethoxy]ethanol
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol dihydrochloride
2-[2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]ethanol hydrochloride
2192-20-3; Atarax (TN); D00672; Hydroxyzine hydrochloride (JP16/USP); Vistaril (TN)
2192-20-3; Hydroxyzine dihydrochloride; Prestwick_272
5-23-01-00462 (Beilstein Handbook Reference)
68-88-2; D08054; Hydroxyzine (INN); Marex (TN)
Ethanol, 2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-
Ethanol, 2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)- (9CI)
Ethanol, 2-(2-(4-(p-chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)-
Ethanol, 2-[2-[4-(p-chloro-.alpha.-phenylbenzyl)-1-piperazinyl]ethoxy]-
Ethanol, 2-[2-[4-(p-chloro-phenylbenzyl)-1-piperazinyl]ethoxy]-
Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-
hidroxizina; hydroxyzine; hydroxyzinum
Hychotine; Hydroxine; Hydroxizine; Hydroxizinum; Hydroxycine; Hydroxyzin; Hydroxyzine
Hydroxyzine Hydrochloride (FDA
INN); Hydroxyzine Pamoate (FDA
INN); Hydroxyzine Pamoate (JAN
N-(4-Chlorobenzhydryl)-N'-(hydroxyethoxyethyl)piperazine
| 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) | 3.35 | 8.04 | -38.02 | 2 | 4 | 1 | 37 | 375.92 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 7.56 | -38.93 | 2 | 4 | 1 | 37 | 375.92 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 5.72 | -6.11 | 1 | 4 | 0 | 36 | 374.912 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 3.855 | Bitter DB |
| ALOGPS_SOLUBILITY | 9.14e-02 g/l | DrugBank-approved |
| Indications | antihistamine | KeyOrganics Bioactives |
| Therapy | anxiolytic, antihistaminic | SMDC Iconix |
| Patent Database Links | EP1078637; EP1571145; EP1639994; EP1685843; EP1777223; EP1829534; EP1832287; EP1867641; EP1990639; US2003236298; US2004142904; US2004254182; US2005069596; US2005070525; US2005113383; US2005182103; US2005281845; US2006166960; US2007202050; US2007202055; US | ChEBI |
| Target | Histamine Receptor | Selleck Chemicals |
| PUBCHEM_PATENT_ID | US5620961 | IBM Patent Data |
| Purity | USP24 | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.27 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.27 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.27 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 10000 | 0.27 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 10000 | 0.27 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 10000 | 0.27 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 10000 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
