Basic information
- CAS
81801-12-9- Standard SMILES
O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1- InChIKey
DXPOSRCHIDYWHW-UHFFFAOYSA-N- Molecular formula
- C16H25N3O5
- Average molar mass
- 339.39 g/mol
- Monoisotopic mass
- 339.17942091
Names & identifiers
- Preferred name
- Xamoterol
- IUPAC
- N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
- English name
- XAMOTEROL HEMIFUMARATE
- Molecular formula
- C16H25N3O5.C4H4O4
- Molecular weight
- 455.461
Names & synonyms
Xamoterol81801-12-9XamoterolumICI-118587DTXSID8045222N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide7HE0JQL703N-(2-((2-hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)morpholine-4-carboxamideICI-118,587N-(2-{[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)morpholine-4-carboxamide4-Morpholinecarboxamide, N-(2-((2-hydroxy-3-(4-hydroxyphenoxy)propyl)amino)ethyl)-, (+-)-DTXCID6025222
Show more names
XAMOTEROL FUMARATEIxazomib Impurity 63XAMOTEROL HEMIFUMARATE USP/EP/BP4-Morpholinecarboxamide, N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]-
(+-)-N-(2-((2-Hydroxy-3-(p-hydroxyphenoxy)propyl)amino)ethyl)-4-morpholinecarboxamideFumarate, XamoterolHemifumarate, XamoterolRefChem:195096Monohydrobromide, XamoterolMonohydrochloride, XamoterolC01CX07ICI118587
Database identifiers
- CAS
81801-12-9- PubChem CID
- 155774
- DTXSID
DTXSID8045222- ChEMBL
CHEMBL75753- ChEBI
CHEBI:10055- UNII
- 7HE0JQL703
- Nikkaji
- J3.731.223A、J304.911F
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 168 · 168-170°C
- solubility
- 2 O: · H2O: 10 mg/mL at 60 °C, soluble
- form
- solid
- color
- white
- FDA UNII
- 7 HE0JQL703 · 7HE0JQL703
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system；C01 - Cardiac therapy；C01C - Cardiac stimulants excl. cardiac glycosides；C01CX - Other cardiac stimulants；C01CX07 - Xamoterol
QC - Cardiovascular system；QC01 - Cardiac therapy；QC01C - Cardiac stimulants excl. cardiac glycosides；QC01CX - Other cardiac stimulants；QC01CX07 - Xamoterol
MeSH Pharmacological ClassificationCompounds that bind to and activate ADRENERGIC BETA-1 RECEPTORS.
Applications
UsesStimulant (cardiac).
UsesXamoterol is an authentic β1-adrenoceptor (β1-AR) agonist that has been shown to mimic the autoantibody effect on rat atria β1-AR apoptosis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers12 total
LGM Pharma1-(800)-881-8210 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Additional notes
DefinitionChEBI: Xamoterol is a member of morpholines.
Related reactions
2 records
Compound notes
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