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Hydroxyzine free base

CAT: 0013-GTR19156830-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156830-02Size:500 mg
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Description
Hydroxyzine is an antagonist of histamine H1-receptor. Hydroxyzine is an antihistaminic with sedative properties used in the control of anxiety and emesis.
CAS Number
68-88-2
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (266.74 mM)
Smiles
OCCOCCN1CCN (CC1) C (c1ccccc1) c1ccc (Cl) cc1
Molecular Formula
C21H27ClN2O2?
Molecular Weight
374.9
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Hydroxyzine

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 an anticoronaviral agent, an anxiolytic drug, a H1-receptor antagonist, a dermatologic drug and an antipruritic drug. It is a hydroxyether, a N-alkylpiperazine and a member of monochlorobenzenes.

CAS Number68-88-2
PubChem CID3658
IUPAC Name2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol
Molecular FormulaC21H27ClN2O2
Molecular Weight374.9
XLogP3.7
Topological Polar Surface Area35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity376
SMILES
C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
InChIKey
ZQDWXGKKHFNSQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxyzine
CAS: 68-88-2
CID: 3658
Formula: C21H27ClN2O2
MW: 374.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight374.9
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass374.1761058
Monoisotopic Mass374.1761058
Topological Polar Surface Area35.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes