CompoundList
Sign in
Respiratory, allergy and digestive drugs

Emedastine

Also known as Emedastina, Emedastinum, 1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole

CAS 87233-61-2Formula C17H26N4OMolar mass 302.42 g/mol
5 suppliers listed
Get quotes Compare 5 suppliers
Emedastine chemical structure, C17H26N4O, CAS 87233-61-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
87233-61-2
Formula
C17H26N4O
Molar mass
302.42 g/mol
HS code
293399
Category
Respiratory, allergy and digestive drugs

What is Emedastine?

Plain description, key identifiers and synonyms

Emedastine is 1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1H-benzimidazol-2-yl group. A relatively selective histamine H1 antagonist, it is used as the difumatate salt for allergic rhinitis, urticaria, and pruritic skin disorders, and in eyedrops for the symptomatic relief of allergic conjuntivitis. It has a role as a H1-receptor antagonist, an anti-allergic agent and an antipruritic drug.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
CAS number
87233-61-2 CAS number cross-checked
Molecular formula
C17H26N4O
UNII
9J1H7Y9OJV
MDL number
MFCD00865647
InChIKey
KBUZBQVCBVDWKX-UHFFFAOYSA-N
InChI
InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3
SMILES (canonical and isomeric)
CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C

Synonyms

  • Emedastina
  • Emedastinum
  • 1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole
  • 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-1,3-benzodiazole
  • 1-[2-(ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole
  • 1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazole
  • 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-
  • KG 2413
  • 1-(2-(ethoxy)ethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole
  • 1-(2-Ethoxy-ethyl)-2-(4-methyl-(1,4)diazepan-1-yl)-1H-benzoimidazole
  • 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1h-benzo[d]imidazole
  • 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
  • Emedastine (INN)
  • Emedastine?
  • 1-Methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazo)-2-yl)(1,4)diazepane
  • Emedastine (Standard)
  • Emedastine Impurity 14
  • 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
  • 1-(2-ethoxyethyl)-2-(4-methyl-1-homopiperazinyl) benzimidazole
  • 1-(2-Ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-1,3-benzimidazole
  • 1-methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
302.42 g/molcalc.
Exact mass
302.2107 Dacalc.
LogP (octanol/water)
2.21calc.
Topological polar surface area
33.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2[nH]c(N3CCCNCC3)nc2c1

c1ccc2[nH]c(N3CCCNCC3)nc2c1

3 rings, 16 atoms, the 2-(1,4-Diazepan-1-yl)-1H-benzo[d]imidazole ring system.

23 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Emedastine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 5 suppliers
5 of 5 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

5 suppliers in 1 country

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Emedastine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Anti-Allergic Agents
  • Histamine H1 Antagonists

Roles

  • H1-receptor antagonist
  • antagonist
  • anti-allergic agent
  • antipruritic drug
  • dermatologic drug
  • histamine antagonist
  • histaminergic drug
  • neurotransmitter agent
  • pharmaceutical

Pharmacology

Emedastine is a Histamine-1 Receptor Inhibitor. The mechanism of action of emedastine is as a Histamine H1 Receptor Antagonist.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Emedastine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Emedastine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Emedastine, based on the data on this page

What is Emedastine?

Emedastine is 1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1H-benzimidazol-2-yl group.

What is the CAS number of Emedastine?

The CAS registry number of Emedastine is 87233-61-2.

What is the molecular formula and weight of Emedastine?

The molecular formula of Emedastine is C17H26N4O and its molar mass is 302.42 g/mol.

What is Emedastine used for?

Known uses and roles of Emedastine include respiratory and anti-allergy drugs in pharmaceuticals, h1-receptor antagonist, antagonist, anti-allergic agent, antipruritic drug and 7 more.

Is Emedastine hazardous?

No GHS hazard classification for Emedastine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Emedastine?

Emedastine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Emedastine?

CompoundList lists 5 suppliers of Emedastine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Emedastine?

Suppliers quote Emedastine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Emedastine

Get quotes for Emedastine

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Emedastine
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Emedastine with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/emedastine-87233-61-2" title="Emedastine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Respiratory, allergy and digestive drugs or HS code 293399

5 suppliers
Free quotes, contact stays private
Get quotes