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Buclizine HCl

CAT: 1410-M17929-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M17929-01Size:50 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.
CAS Number
129-74-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
505.95
Molecular Formula
C28H33ClN2·2HCl
Notes
Research use only, not for human use.
Receptor
HT| Cholinergic

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...
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