Grundinformationen
- CAS
530-08-5- Standard-SMILES
CCC(NC(C)C)C(O)c1ccc(O)c(O)c1- InChIKey
HUYWAWARQUIQLE-UHFFFAOYSA-N- Summenformel
- C13H21NO3
- Durchschnittliche Molmasse
- 239,31 g/mol
- Monoisotopische Masse
- 239,15214353
Überblick
Isoetharine is a catecholamine.
Namen und Bezeichner
- Bevorzugter Name
- Isoetharine
- IUPAC
- 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol
- Lokaler Name
- Isoetarin
- Englischer Name
- isoetarine
- Summenformel
- C13H21NO3
- Molmasse
- 239.313
Namen und Synonyme
isoetharineIsoetarineDilabronEtyprenalineIsoetarin530-08-5IsoetarinaNeoisuprelIsoetarinumWin-34064-{1-hydroxy-2-[(propan-2-yl)amino]butyl}benzene-1,2-diolDTXSID9048560
Weitere Namen anzeigen
BronkometerEtypronalineisoetarine USP/EP/BP
1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)butyl)-WIN3406EtyprenalinumWIN-30464-(1-hydroxy-2-((propan-2-yl)amino)butyl)benzene-1,2-diol1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-Mesylate, IsoetharineRefChem:791859
Datenbank-Bezeichner
- CAS
530-08-5、79490-84-9- PubChem CID
- 3762
- DTXSID
DTXSID9048560- ChEMBL
CHEMBL1201213- ChEBI
CHEBI:6005- EC Number
- 208-472-1
- Nikkaji
- J6.696F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 72,7 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 223
Experimentelle und physikochemische Eigenschaften
LogP2.2
Solubility
Appreciable
3.18e+00 g/L
Human Drugs
Breast Feeding; Lactation; Milk, Human; Anti-Asthmatic Agents; Bronchodilator Agents; Beta Adrenergic Agonists
Pharmaceuticals
Physical DescriptionSolid
Collision Cross Section157.69 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Siedepunkt
- 429.3 · 429.3±40.0 °C(Predicted)
- Dichte
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- pka
- 9.59 · 9.59±0.10(Predicted)
- CAS Datenbank
- 530 · 530-08-5
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Toxikologische Informationen
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Chemie und Industrie
Pharmakologische Informationen
ATC Code
R - Respiratory system
R - Respiratory system
QR - Respiratory system
QR - Respiratory system
Pharmacodynamics
Isoetharine is a beta-adrenergic receptor agonist. While it is reported to demonstrate more selectivity towards beta-2 adrenergic receptors, isoetharine still binds to beta-1 adrenergic receptors and thus may be associated with beta-1-mediated adverse events. Isoetharine produces maximal bronchodilation within 15 minutes of inhalation.
Mechanism of Action
Isoetharine-induced bronchodilator occurs from an increased activity of adenyl cyclase, which augments the formation of cyclic AMP (cAMP). Increased levels of cAMP result in the relaxation of bronchial smooth muscle, stimulation of ciliary activity, and potential improvement in capillary integrity.
Metabolism/MetabolitesIsoetharine is rapidly metabolized once inhaled.
MeSH Pharmacological Classification
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Compounds bind to and activate ADRENERGIC BETA-2 RECEPTORS.
Cellular LocationsMembrane
Verwendung und Herstellung
Use ClassificationPharmaceuticals
Anwendungen
BeschreibungIsoetharine is a direct-acting sympathomimetic with relatively low selectivity with β2-adrenoreceptors. However, it quickly calms bronchospasms better than more selective bronchodilators.
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