기본 정보
- CAS
138298-79-0- 표준 SMILES
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1COc2cccc(OC)c2C1- InChIKey
DLLULNTXJPATBC-FQEVSTJZSA-N- 분자식
- C26H38N2O4
- 평균 분자량
- 442.6 g/mol
- 단동위원소 질량
- 442.2831577
개요
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.
이름 및 식별자
- 우선 이름
- Alnespirone
- IUPAC
- 8-[4-[[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
- 영어명
- Unii-34E28bm822
- 분자식
- C26H38N2O4
- 분자량
- 442.59092
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
138298-79-0- PubChem CID
- 178132
- DTXSID
DTXSID30160560- ChEMBL
CHEMBL2104091
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 59.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 628
물리화학적 성질
- 끓는 점
- 629.5 · 629.5±55.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.27 · 8.27±0.20(Predicted)
화학 및 산업
약리 정보
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.
공급사5 곳
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]
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