Temelastine

HCID 55482CAS 86181-42-2

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Grundinformationen

Standard-SMILES: Cc1ccc(Cc2cnc(NCCCCc3ncc(Br)cc3C)[nH]c2=O)cn1
InChIKey: OGEAASSLWZDQBM-UHFFFAOYSA-N
Summenformel: C21H24BrN5O
Durchschnittliche Molmasse: 442,4 g/mol
Monoisotopische Masse: 441,11642249

Überblick

Temelastine is a pyrimidone.

Namen und Bezeichner

Bevorzugter Name: Temelastine
IUPAC: 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
Englischer Name: Temelastine
Summenformel: C21H24BrN5O
Molmasse: 442.359

Namen und Synonyme

TEMELASTINE86181-42-2TemelastinaTemelastinumSK&F 93944SK&F-93944BF6IGI53XHDTXSID602354374(1H)-Pyrimidinone, 2-((4-(5-bromo-3-methyl-2-pyridinyl)butyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-SKF 93944RefChem:932696DTXCID60157928

Weitere Namen anzeigen

SKF-939442-[[4-(5-Bromo-3-methyl-2-pyridinyl)butyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-4(1H)-pyrimidinone

2-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-oneTemelastinum [Latin]Temelastina [Spanish]UNII-BF6IGI53XHTemelastine [USAN:INN:BAN]TEMELASTINE [INN]Temelastine (USAN/INN)TEMELASTINE [USAN]

Datenbank-Bezeichner

CAS: 86181-42-2
PubChem CID: 55482
DTXSID: DTXSID60235437
ChEMBL: CHEMBL70598
ChEBI: CHEBI:180882
UNII: BF6IGI53XH
Nikkaji: J23.727B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 79,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 8
Schwere Atome: 28
Formalladung: 0
Komplexität: 593

Experimentelle und physikochemische Eigenschaften

LogP3.19

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.

Metabolite PathwaysTemelastine H1-Antihistamine Action