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Meclizine 2HCl

CAT: 1568-C08181-50mgSize: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C08181-50mgSize:50 mg
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CAS Number
1104-22-9
Synonyms
NSC 28728, Meclozine dihydrochloride
Target
Histamine Receptor
Applications
Neuronal Signaling
Smiles
CC1=CC (=CC=C1) CN2CCN (CC2) C (C3=CC=CC=C3) C4=CC=C (C=C4) Cl.Cl.Cl
Molecular Formula
C25H27Cl2N2.2HCl
Additionnal Information
Meclizine (NSC 28728, Meclozine dihydrochloride) is a histamine H1 receptor antagonist used to treat nausea and motion sickness, has anti-histamine, anti-muscarinic and anti-oxidative phosphorylation properties, also an agonist ligand for mCAR (constitutive androstane receptor) and an inverse agonist for hCAR.
Storage Conditions
2 years -80 in solvent

Chemical Information

Meclozine Dihydrochloride
CAS Number1104-22-9
PubChem CID64713
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;dihydrochloride
Molecular FormulaC25H29Cl3N2
Molecular Weight463.9
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity447
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl
InChI
InChI=1S/C25H27ClN2.2ClH/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;;/h2-13,18,25H,14-17,19H2,1H3;2*1H
InChIKey
VCTHNOIYJIXQLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Meclozine Dihydrochloride
CAS: 1104-22-9
CID: 64713
Formula: C25H29Cl3N2
MW: 463.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight463.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass462.139632
Monoisotopic Mass462.139632
Topological Polar Surface Area6.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity447
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