Emedastine Difumerate

Basic Information

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CAS Number

87233-62-3

Molecular Formula

C25H34N4O9

Molecular Weight

534.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

147.0 to 151.0 deg-C

SMILES

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CN1CCN(C2=NC3=CC=CC=C3N2CCOCC)CCC1.O=C(O)/C=C/C(O)=O.O=C(O)/C=C/C(O)=O

InChI

InChI=1S/C17H26N4O.2C4H4O4/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;2*5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

FWLKKPKZQYVAFR-LVEZLNDCSA-N

LogP

1.6383000000000016

Topological Polar Surface Area

182.72999999999996 Å²

Hydrogen Bond Donor/Acceptor

4 / 13

Complexity

460

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 orally in guinea pigs: 744 mg/kg (Fukuda)

Synonyms & References

English

1-(2-Ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzo[d]imidazole difumarate
Emedastine Difumerate
Emedastine Difumarate
(E)-but-2-enedioic acid,1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
EMEDASTINE FUMARATE
1-(2-Ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole Difumarate
1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1H-benzimidazole (2E)-2-butenedioate (1:2)
AL 3432A
Emadine
KB 2413
KG 2413
LY 188695
Rapimine
Daren
42MB94QOSM
Emadine (TN)
DSSTox_RID_82009
DSSTox_CID_26911
DSSTox_GSID_46911
1-(2-Ethoxyethyl)-2-(4-methylhexahydro-1H-1,4-diazepin-1-yl)benzimidazole fumarate (1:2)
Benzimidazole, 1-(2-et
1H-1,4-Diazepine, 1H-benzimidazole deriv. (ZCI)
1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-, (E)-2-butenedioate (1:2) (ZCI)
Emedastine difumarate
1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzo[d]imidazole
fumarate (1:2)

MDL Number

MFCD00923844

Customs Code

2933990090

FAQ

What is Emedastine Difumerate (CAS: 87233-62-3)?

Emedastine Difumerate is a quaternary ammonium compound with the CAS number 87233-62-3. It is primarily used as an antihistamine in ophthalmic medications to treat allergic conjunctivitis. The compound has a distinctive chemical structure that allows it to be effective in ocular applications due to its lipophilic and hydrophilic properties.

What are the main uses of Emedastine Difumerate (CAS: 87233-62-3)?

Emedastine Difumerate is chiefly used in the treatment of allergic conjunctivitis, characterized by itching, redness, and swelling of the eyes. It is available as eye drops and is effective in relieving symptoms caused by eye allergies. The compound is also used in combination with other medications for more comprehensive allergy management.

Is Emedastine Difumerate (CAS: 87233-62-3) safe?

Emedastine Difumerate is generally considered safe when used as directed. However, it is important to follow the prescribed dosage and duration to avoid potential side effects. Users should be cautious and seek medical advice if they experience any unusual reactions. Proper storage and handling are critical to ensure safety.

How should Emedastine Difumerate (CAS: 87233-62-3) be stored?

Emedastine Difumerate should be stored in a cool, dry place away from direct sunlight. It is recommended to keep the bottle tightly closed at all times to maintain its efficacy. The storage temperature should not exceed 25°C (77°F). Avoid exposure to moisture and high temperatures to prevent degradation of the compound. Use the medication before the expiration date indicated on the package to ensure its effectiveness.