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

COA

Grade & Purity:

10mM in DMSO

Cas Number: 108929-04-0
Molecular Weight: 285.77
EC Number: 629-843-8
PubChem CID: 157313

In stock

Item Number

E420557

Grouped product items
SKU	Size	Availability	Price	Qty
E420557-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

Antihistamine. Highly selective, non-sedating H 1 histamine receptor antagonist.

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Class A GPCR (4138) Compound libraries (12325)

Basic Description

Synonyms	Epinastine hydrochloride \| 108929-04-0 \| Epinastine HCl \| Alesion \| Elestat \| 80012-44-8 \| WAL-801CL \| WAL 801 CL \| Epinastine monohydrochloride \| UNII-GFM415S5XL \| GFM415S5XL \| DE-114 \| Epinastine hydrochloride [JAN] \| WAL-802-CL \| DTXSID1046502 \| Epinastine (hydrochloride) \| Epinastin
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 Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	ANTAGONIST
Mechanism of action	Histamine H1 receptor antagonist
Product Description	A tetracyclic, histamine H1 receptor antagonist.

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
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

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

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
INCHI	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
InChIKey	VKXSGUIOOQPGAF-UHFFFAOYSA-N
Smiles	C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N.Cl
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture & Heat sensitive
Melt Point(°C)	275 °C(dec.)
Molecular Weight	285.770 g/mol
XLogP3
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 Å²
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

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