CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Oil |
| Boiling Point | 220 °C at 0.5 mm Hg |
| Melting Point | 200C |
| Solubility | Crystals; MP 193 °C; Bitter taste. Solubility in mg/mL: water <700; chloroform 60; acetone 2; ether <0.1. Solutions are unstable to intense UV light. /Hydroxyzine dihydrochloride/ |
| LogP | 2.7 |
| Collision Cross Section | 197.4 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2871 2820 2874 2874 2832 2876 2884 2867 2849 2871.8 2849 2832 2849 |
| Other Experimental Properties | Crystals; mw 763.27; practically insoluble in water /Hydroxyzine pamoate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 374.9 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 374.1761058 g/mol |
| Monoisotopic Mass | 374.1761058 g/mol |
| Topological Polar Surface Area | 35.9 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 376 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Hydroxyzine is a N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively. It has a role as a H1-receptor antagonist, an anxiolytic drug, a dermatologic drug, an antipruritic drug and an anticoronaviral agent. It is a N-alkylpiperazine, a hydroxyether and a member of monochlorobenzenes.