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HCID 164522Erstellt: 27. Oktober 2026

Bepotastine

BEPOTASTINE · Bestatin (i.e · Bepotastine >(S)-Bepotastine · Bepotastine >90% · betotastine besilate · Bepotastine free base · Bepotastine (Standard) · -4-(4-((4-Chlorophenyl)

https://huagongshe.com/de/chemical/164522

Identifikatoren & physikalische Daten

CAS No.	125602-71-3
Summenformel	C21H25ClN2O3
Durchschnittliche Molmasse	388,9 g/mol
Monoisotopische Masse	388,15537034 g/mol
SMILES	O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1
InChIKey	YWGDOWXRIALTES-NRFANRHFSA-N
PubChem CID	164522
ChEMBL	CHEMBL1201758
ChEBI	CHEBI:71204
DTXSID	DTXSID90904947

Chemische & physikalische Eigenschaften

XLogP	1
Polarare Oberfläche (TPSA)	62,7
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	8
Schwere Atome	27
Formalladung	0
Komplexität	449
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Human Drugs	Breast FeedingLactationMilk, HumanAnti-Allergic AgentsAntihistamines
Schmelzpunkt	56 - 58°C
Siedepunkt	546.8±50.0 °C(Predicted)
Dichte	1.26
Lagerbedingungen	-20°C Freezer, Under inert atmosphere
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	4.44±0.10(Predicted)
Aggregatzustand	Solid
Farbe	White to Pale Beige
InChIKey	YWGDOWXRIALTES-NRFANRHFSA-N
SMILES	[C@@H](C1N=CC=CC=1)(C1C=CC(=CC=1)Cl)OC1CCN(CC1)CCCC(=O)O

Sicherheit & Vorschriften

Expositionspfade	Oral, Ophthalmic. Tmax, after single dose, opthalmic = 1.2 hoursCmax, 1.5%, opthalmic dose = 7.3 &#1771.9 ng/mLAfter 24 hours post-installation, levels of bepotastine are below quantifiable limit of 2 ng/mL. Minimal systemic absorption with opthalmic dosage form.
Toxizitätsübersicht	Because of a type 1 hypersensitivity reaction cascade that is triggered by antigen exposure, allergic conjunctivitis occurs. Allergen exposure is followed by conjunctival mast cell degranulation and histamine released as a result of the formation of complementary IgE cross-links on the conjunctiva. Due to the release of histamine, symptoms such as itching can be observed. Bepotastine works to relieve itchy eyes by three primary mechanisms of action. It is a non-sedating, selective antagonist of the histamine 1 (H1) receptor, a mast cell stabilizer, and it suppresses the migration of eosinophils into inflamed tissues to prevent tissue damage and worsening of allergic inflammation of the conjunctiva.
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation

CAS No.

125602-71-3

Summenformel

C21H25ClN2O3

Durchschnittliche Molmasse

388,9 g/mol

Monoisotopische Masse

388,15537034 g/mol

SMILES

O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1

InChIKey

YWGDOWXRIALTES-NRFANRHFSA-N

PubChem CID

164522

ChEMBL

CHEMBL1201758

ChEBI

CHEBI:71204

DTXSID

DTXSID90904947

Chemische & physikalische Eigenschaften

XLogP

Polarare Oberfläche (TPSA)

62,7

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

449

Arzneimittel

Pharmaceuticals -> Listed in ZINC15

Human Drugs

Breast FeedingLactationMilk, HumanAnti-Allergic AgentsAntihistamines

Schmelzpunkt

56 - 58°C

Siedepunkt

546.8±50.0 °C(Predicted)

Dichte

1.26

Lagerbedingungen

-20°C Freezer, Under inert atmosphere

Löslichkeit

DMSO (Slightly), Methanol (Slightly)

pKa (Säurekonstante)

4.44±0.10(Predicted)

Aggregatzustand

Solid

Farbe

White to Pale Beige

InChIKey

YWGDOWXRIALTES-NRFANRHFSA-N

SMILES

[C@@H](C1N=CC=CC=1)(C1C=CC(=CC=1)Cl)OC1CCN(CC1)CCCC(=O)O

Sicherheit & Vorschriften

Expositionspfade

Oral, Ophthalmic. Tmax, after single dose, opthalmic = 1.2 hoursCmax, 1.5%, opthalmic dose = 7.3 &#1771.9 ng/mLAfter 24 hours post-installation, levels of bepotastine are below quantifiable limit of 2 ng/mL. Minimal systemic absorption with opthalmic dosage form.

Toxizitätsübersicht

Because of a type 1 hypersensitivity reaction cascade that is triggered by antigen exposure, allergic conjunctivitis occurs. Allergen exposure is followed by conjunctival mast cell degranulation and histamine released as a result of the formation of complementary IgE cross-links on the conjunctiva. Due to the release of histamine, symptoms such as itching can be observed. Bepotastine works to relieve itchy eyes by three primary mechanisms of action. It is a non-sedating, selective antagonist of the histamine 1 (H1) receptor, a mast cell stabilizer, and it suppresses the migration of eosinophils into inflamed tissues to prevent tissue damage and worsening of allergic inflammation of the conjunctiva.

Carcinogen Classification

No indication of carcinogenicity to humans (not listed by IARC).

Effects During Pregnancy and Lactation

◉ Summary of Use during Lactation