Cyclizine Hydrochloride - Moligand™, ≥98% , CAS No.303-25-3

CAS: 303-25-3 Cat. No.: C347548 Molecular Weight: 302.84 Beilstein Registry Number: 3743457 EC Number: 206-136-9

GRADE & PURITY Moligand™, ≥98%

Synonyms

SMR001233212 | 1,10-Decanediol, 98% | CYCLIZINE HYDROCHLORIDE [EP IMPURITY] | cyclizine monohydrochloride | 1-benzhydryl-4-methylpiperazin-4-ium;chloride | CYCLIZINE HCl | Cyclizini hydrochloridum | Echnatol | EN300-18536064

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Cyclizine is a piperazine derivative with anti-emetic activity that is useful in the prevention and treatment of nausea and vomiting associated with motion sickness.

Specifications

Synonyms

SMR001233212 | 1, 10-Decanediol, 98% | CYCLIZINE HYDROCHLORIDE [EP IMPURITY] | cyclizine monohydrochloride | 1-benzhydryl-4-methylpiperazin-4-ium;chloride | CYCLIZINE HCl | Cyclizini hydrochloridum | Echnatol | EN300-18536064

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Product Properties

• Ki Data: Histamine H1 Receptor: Ki= 4.44 nM (human); SR-2A: Ki= 64 nM (human); mAChR M4: Ki= 119 nM (human); mAChR M3: Ki= 159 nM (human); Muscarinic acetylcholine receptor M1: Ki= 163 nM (human)

Names and Identifiers

• Canonical Smiles: CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
• IUPAC Name: 1-benzhydryl-4-methylpiperazine;hydrochloride
• InChIKey: UKPBEPCQTDRZSE-UHFFFAOYSA-N
• INCHI: 1S/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H
• Isomeric SMILES: CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
• RTECS: TL6560000
• UN Number: 2811
• Packing Group: III
• Molecular Weight: 302.84
• Beilstein: 3743457
• Reaxy-Rn: 3743457
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3743457&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: N-methylpiperazines Aralkylamines Trialkylamines Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Amine - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organonitrogen compound - 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: hydrochloride

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO, methanol, chloroform, alcohol, and water (slightly).
• Refractive Index: n20D1.58 (Predicted)
• Melt Point(°C): 291-293° C
• Molecular Weight: 302.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 302.155 Da
• Monoisotopic Mass: 302.155 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 253.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3