Alnespirone
Grundinformationen
- CAS
138298-79-0- Standard-SMILES
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1COc2cccc(OC)c2C1- InChIKey
DLLULNTXJPATBC-FQEVSTJZSA-N- Summenformel
- C26H38N2O4
- Durchschnittliche Molmasse
- 442,6 g/mol
- Monoisotopische Masse
- 442,2831577
Überblick
Alnespirone is a small molecule drug. The usage of the INN stem '-pirone' in the name indicates that Alnespirone is a anxiolytic, buspirone derivative. Alnespirone has a monoisotopic molecular weight of 442.28 Da.
Namen und Bezeichner
- Bevorzugter Name
- Alnespirone
- IUPAC
- 8-[4-[[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
- Englischer Name
- Unii-34E28bm822
- Summenformel
- C26H38N2O4
- Molmasse
- 442.59092
Namen und Synonyme
alnespirone138298-79-0alnespironaS-2049934E28BM822s20499(+)-(S)-N-(4-((5-Methoxy-3-chromanyl)propylamino)butyl)-1,1-cyclopentanediacetimideDTXSID30160560alnespironum8-(4-(N-(5-Methoxychroman-3-yl)-N-propyl)aminobutyl)-8-azaspiro(4,5)decane-7,9-dioneRefChem:110946DTXCID9083051
Weitere Namen anzeigen
S 205808-Azaspiro[4.5]decane-7,9-dione, 8-[4-[[(3S)-3,4-dihydro-5-methoxy-2H-1-benzopyran-3-yl]propylamino]butyl]-
4-(N-(5-Methoxychroman-3-yl)-N-propylamino)butyl-8-azaspiro(4,5)decane-7,9-dioneAlnespirone [INN]8-[4-[[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione(S)-8-(4-((5-Methoxychroman-3-yl)(propyl)amino)butyl)-8-azaspiro[4.5]decane-7,9-dioneAlnespirone (racemate)UNII-34E28BM822S20580;S-20580;S 20580SCHEMBL114478
Datenbank-Bezeichner
- CAS
138298-79-0- PubChem CID
- 178132
- DTXSID
DTXSID30160560- ChEMBL
CHEMBL2104091- UNII
- 34E28BM822
- Nikkaji
- J563.823B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 59,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 628
Physikochemische Eigenschaften
- Siedepunkt
- 629.5 · 629.5±55.0 °C(Predicted)
- Dichte
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 8.27 · 8.27±0.20(Predicted)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.
Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.
Drugs that bind to and activate dopamine receptors.
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