8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione

HCID 2419CAS 21102-94-3

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIKey: AYYCFGDXLUPJAQ-UHFFFAOYSA-N
分子式: C22H31N3O3
平均分子量: 385.5 g/mol
単同位体質量: 385.23654185

概要

8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is a member of piperazines.

名称と識別子

優先名称: 8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione
IUPAC: 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione

名称と別名

21102-94-38-(2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl)-8-azaspiro[4.5]decane-7,9-dione8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-8-azaspiro[4.5]decane-7,9-dione8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione8-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro[4.5]decane-7,9-dioneRefChem:914474bmy-7378 free base8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione08EI0K81OLUNII-08EI0K81OL8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-azaspiro[4.5]decane-7,9-dioneCHEMBL13647

名称をさらに表示

8-Azaspiro(4.5)decane-7,9-dione, 8-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-8-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}-8-azaspiro[4.5]decane-7,9-dione8-Azaspiro[4.5]decane-7,9-dione, 8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-Tocris-1006GTPL9Lopac-B-134BMY 7378 free baseBMY 7378 (free base)

データベース識別子

CAS: 21102-94-3
PubChem CID: 2419
DTXSID: DTXSID70943430
ChEMBL: CHEMBL13647
ChEBI: CHEBI:92539
UNII: 08EI0K81OL
Nikkaji: J264.602A

物性

構造計算による物性

XLogP: 2.8
極性表面積: 53.1 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 28
形式電荷: 0
複雑度: 547

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.