Basic information
- CAS
138298-79-0- Standard SMILES
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1COc2cccc(OC)c2C1- InChIKey
DLLULNTXJPATBC-FQEVSTJZSA-N- Molecular formula
- C26H38N2O4
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.2831577
Overview
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.
Names & identifiers
- Preferred 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
- English name
- Unii-34E28bm822
- Molecular formula
- C26H38N2O4
- Molecular weight
- 442.59092
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
138298-79-0- PubChem CID
- 178132
- DTXSID
DTXSID30160560
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 628
Physicochemical properties
- Boiling point
- 629.5 · 629.5±55.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 8.27 · 8.27±0.20(Predicted)
- FDA UNII
- 34 E28BM822 · 34E28BM822
Chemistry & industry
Pharmacology
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.
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
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]
Related reactions
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Compound notes
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