Hydroxyzine pamoateProduct ingredient for Hydroxyzine
- Name
- Hydroxyzine pamoate
- Drug Entry
- Hydroxyzine
Hydroxyzine is a first-generation histamine H1-receptor antagonist of the dephenylmethane and piperazine classes that exhibits sedative, anxiolytic, and antiemetic properties.2,12 It was first developed in 1955,10 and has since remained a relatively common treatment for allergic conditions such as pruritus, urticaria, dermatoses, and histamine-mediated pruritus.18 The active metabolite of hydroxyzine, cetirizine, is also available as an active ingredient in allergic medications, and is responsible for much of its hydroxyzine's antihistaminic effect.13 Hydroxyzine is also used for generalized anxiety disorder, tension caused by psychoneurosis, and other conditions with manifestations of anxiety.18
- Accession Number
- DBSALT000984
- Structure
Structure for Hydroxyzine pamoate (DBSALT000984)
- Synonyms
- Not Available
- UNII
- M20215MUFR
- CAS Number
- 10246-75-0
- Weight
- Average: 763.28
Monoisotopic: 762.2707941 - Chemical Formula
- C44H43ClN2O8
- InChI Key
- ASDOKGIIKXGMNB-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H16O6.C21H27ClN2O2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-9,21,25H,10-17H2
- IUPAC Name
- 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethan-1-ol; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
- SMILES
- OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1.OC(=O)C1=CC2=CC=CC=C2C(CC2=C(O)C(=CC3=CC=CC=C23)C(O)=O)=C1O
- External Links
- ChemSpider
- 23443
- ChEBI
- 31680
- ChEMBL
- CHEMBL1200467
- Wikipedia
- Hydroxyzine
- Predicted Properties
Property Value Source Water Solubility 0.00418 mg/mL ALOGPS logP 4.58 ALOGPS logP 6.05 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 2.38 Chemaxon pKa (Strongest Basic) -6.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 115.06 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 107.17 m3·mol-1 Chemaxon Polarizability 38.88 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon