Epinastine HCl - 10mM in DMSO , Histamine H1 receptor antagonist, CAS No.108929-04-0, Histamine H1 receptor antagonist

CAS: 108929-04-0 Cat. No.: E420557 Molecular Weight: 285.77 EC Number: 629-843-8

GRADE & PURITY 10mM in DMSO

Synonyms

CCG-221805 | NCGC00261186-01 | Tox21_112263 | A857231 | DTXCID9026502 | EPINASTINE HYDROCHLORIDE [MI] | Tox21_500501 | Epinastine (hydrochloride) | Epinastine monohydrochloride | Tox21_112263_1 | Alesion | Elestat (TN) | WAL-801CL | AKOS015967222 | HY-B06

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

A tetracyclic, histamine H1 receptor antagonist.

Specifications

Synonyms

CCG-221805 | NCGC00261186-01 | Tox21_112263 | A857231 | DTXCID9026502 | EPINASTINE HYDROCHLORIDE [MI] | Tox21_500501 | Epinastine (hydrochloride) | Epinastine monohydrochloride | Tox21_112263_1 | Alesion | Elestat (TN) | WAL-801CL | AKOS015967222 | HY-B06

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Epinastine Hydrochloride is a tetracyclic, histamine H1 receptor antagonist that blocks the release of histamine from mast cells.Antihistamine. Highly selective, non-sedating H 1 histamine receptor antagonist. Mast cell stabilizer used in eye drops to tre

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

ANTAGONIST

Mechanism of action

Histamine H1 receptor antagonist

Names and Identifiers

• Canonical Smiles: C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N.Cl
• IUPAC Name: 2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride
• InChIKey: VKXSGUIOOQPGAF-UHFFFAOYSA-N
• INCHI: 1S/C16H15N3.ClH/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16;/h1-8,15H,9-10H2,(H2,17,18);1H
• Isomeric SMILES: C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N.Cl
• WGK Germany: 3
• RTECS: HO4360000
• Alternate CAS: 80012-44-8,108929-04-0,80012-43-7 (Parent)
• MeSH Entry Terms: 3-amino-9,13b-dihydro-1H-benz(c,f)imidazo(1,5a)azepine;epinastine;epinastine hydrochloride;Flurinol;WAL 80;WAL 801;WAL 801 CL;WAL 801CL;WAL-80 Cl
• Molecular Weight: 285.77
• Reaxy-Rn: 3576207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3576207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Azepines Benzenoids Imidazolines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Azepine - Benzenoid - 2-imidazoline - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture & Heat sensitive
• Melt Point(°C): 275 °C(dec.)
• Molecular Weight: 285.770 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 285.103 Da
• Monoisotopic Mass: 285.103 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 378.000
• 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: 2

XLogP3

References

1. Shiyan Liu, Xuefeng Zhang, Xin Gong, Jinxin Yu, Tao Lin, Qian Xiang, Xinnian Zeng, Jiali Liu.  (2025)  molecular and pharmacological characterization of the dopamine receptors in the oriental fruit fly, Bactrocera dorsalis.  INSECT BIOCHEMISTRY AND MOLECULAR BIOLOGY,      [PMID:40245998] [10.1016/j.ibmb.2025.104312]