Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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M611780-1mg
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1mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$114.90
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M611780-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$400.90
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M611780-25mg
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25mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$1,000.90
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| Synonyms | KBioGR_000473 | Meclozine | Dramamine II | Prestwick3_000457 | 1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)diethylenediamine | 4-Methyl-2-chloroacetophenone | NINDS_000407 | 1-(p-Chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)piperazine | Calmonal | Diadril | |
|---|---|
| Specifications & Purity | Moligand™, ≥95% |
| Grade | Moligand™ |
| Action Type | AGONIST, ANTAGONIST |
| Mechanism of action | Agonist of Constitutive androstane receptor;Antagonist of Constitutive androstane receptor |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Phenylmethylamines Benzylamines Toluenes N-alkylpiperazines Chlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylmethane - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Toluene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | diarylmethane |
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| IUPAC Name | 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine |
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| INCHI | InChI=1S/C25H27ClN2/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 |
| InChIKey | OCJYIGYOJCODJL-UHFFFAOYSA-N |
| Smiles | CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
| Isomeric SMILES | CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
| Alternate CAS | 163837-49-8,569-65-3,36236-67-6 (hydrochloride) |
| PubChem CID | 4034 |
| NSC Number | 169189 |
| MeSH Entry Terms | Agyrax;Antivert;Bonamine;Bonine;Chiclida;D Vert;D-Vert;Dihydrochloride, Meclizine;DVert;Histametizyn;Hydrochloride, Meclizine;Meclizine;Meclizine Dihydrochloride;Meclizine Hydrochloride;Meclizine Monohydrochloride;Meclozine;Monohydrochloride, Meclizine;Pa |
| Molecular Weight | 390.9 |
| Molecular Weight | 390.900 g/mol |
|---|---|
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 390.186 Da |
| Monoisotopic Mass | 390.186 Da |
| Topological Polar Surface Area | 6.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 447.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yanru Liu, Xia Wang, Jia Yu, Xingjie Guo. (2021) Chiral separation and molecular simulation study of six antihistamine agents on a coated cellulose tri-(3,5-dimethylphenycarbamate) column (Chiralcel OD-RH) and its recognition mechanisms. ELECTROPHORESIS, 42 (14-15): (1461-1472). |