Basic information
- CAS
86181-42-2- Standard SMILES
Cc1ccc(Cc2cnc(NCCCCc3ncc(Br)cc3C)[nH]c2=O)cn1- InChIKey
OGEAASSLWZDQBM-UHFFFAOYSA-N- Molecular formula
- C21H24BrN5O
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 441.11642249
Overview
Temelastine is a pyrimidone.
Names & identifiers
- Preferred name
- Temelastine
- IUPAC
- 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
- English name
- Temelastine
- Molecular formula
- C21H24BrN5O
- Molecular weight
- 442.359
Names & synonyms
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
Show more names
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]
Database identifiers
- CAS
86181-42-2- PubChem CID
- 55482
- DTXSID
DTXSID60235437- ChEMBL
CHEMBL70598- ChEBI
CHEBI:180882- UNII
- BF6IGI53XH
- Nikkaji
- J23.727B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Experimental & physicochemical properties
LogP3.19
Physicochemical properties
- FDA UNII
- 6 IGI53XH · BF6IGI53XH
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
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
Applications
UsesAntihistaminic.
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Temelastine is a pyrimidone.
Related reactions
4 records
Compound notes
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