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Buclizine HCl

CAT: 0013-GTR19159715-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159715-01Size:500 mg
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Description
Buclizine HCl is the hydrochloride salt form of buclizine, a piperazine histamine H1 receptor antagonist with primarily antiemetic and antivertigo activities. Buclizine binds to and blocks the histamine H1 receptor, thereby preventing the symptoms that are caused by histamine activity. Buclizine exerts its anti-emetic effect by binding to and blocking the muscarinic and histamine receptors in the vomiting center of the central nervous system (CNS) . This may prevent activation of the chemoreceptor trigger zone (CTZ) and may reduce nausea and vomiting.
CAS Number
129-74-8
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 2.5 mg/mL (4.94 mM)
Smiles
CC (C) (C) c1ccc (cc1) CN1CCN (CC1) C (c1ccccc1) c1ccc (cc1) Cl.Cl.Cl
Molecular Formula
C28H33ClN2·2HCl
Molecular Weight
505.95
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Buclizine Hydrochloride

Buclizine dihydrochloride is a hydrochloride salt that is obtained by reaction of buclizine with 2 equivalents of hydrogen chloride. It has a role as a central nervous system depressant, a local anaesthetic, a histamine antagonist, a cholinergic antagonist and an antiemetic. It contains a buclizine(2+).

CAS Number129-74-8
PubChem CID65463
IUPAC Name1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
Molecular FormulaC28H35Cl3N2
Molecular Weight505.9
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity514
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl
InChI
InChI=1S/C28H33ClN2.2ClH/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;;/h4-16,27H,17-21H2,1-3H3;2*1H
InChIKey
SDBHDSZKNVDKNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Buclizine Hydrochloride
CAS: 129-74-8
CID: 65463
Formula: C28H35Cl3N2
MW: 505.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass504.186582
Monoisotopic Mass504.186582
Topological Polar Surface Area6.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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