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基本情報
- CAS
78541-97-6- 標準SMILES
CCc1c(C)[nH]c2c1C(=O)[C@@H]1CN(C)CC[C@H]1C2- InChIKey
PVZMYDPRVUCJKV-CMPLNLGQSA-N- 分子式
- C15H22N2O
- 平均分子量
- 246.35 g/mol
- 単同位体質量
- 246.17321333
概要
RN refers to (trans(+-)-isomer); structure in first source
名称と識別子
- 優先名称
- Piquindone
- IUPAC
- (4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one
- 現地名
- ピキンドン
- 英語名
- Piquindone
- 分子式
- C15H22N2O
- 分子量
- 246.35
名称と別名
Piquindone78541-97-6PiquindonumPiquindonaRo 22-1319O1C9WXY65CRo-22-1319DTXSID701016495Ro-22-2586RefChem:174499DTXCID9014746852,6-dimethyl-3-ethyl-4,4a,5,6,7,8,8a,9-octahydro-4a,8a-1H-pyrrolo(2,3g)isoquinolin-4-one
名称をさらに表示
ピキンドン(4aR,8aR)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one4H-Pyrrolo[2,3-g]isoquinolin-4-one, 3-ethyl-1,4a,5,6,7,8,8a,9-octahydro-2,6-dimethyl-, (4aR,8aR)-rel-
3-ethyl-2,6-dimethyl-4,4a,5,6,7,8,8a,9-octahydro-4a,8a-1H-pyrrolo(2,3g)isoquinolin-4-onePiquindone [INN](4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-onePiquindonum [Latin]Piquindona [Spanish]UNII-O1C9WXY65CPiquindone Free BaseSCHEMBL121619
データベース識別子
- CAS
78541-97-6- PubChem CID
- 121903
- DTXSID
DTXSID701016495- ChEMBL
CHEMBL1191651、CHEMBL1192678- UNII
- O1C9WXY65C
- Nikkaji
- J493.165C
物性
構造計算による物性補完中
- XLogP
- 2.1
- 極性表面積
- 36.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 343
物理化学的性質
- 沸点
- 418.998 · 418.998±45.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 1.104 · 1.104±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 酸解離定数(Pka)
- 16.98 · 16.980±0.20(predicted)
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.
応用分野
使用Piquindone, is an atypical antipsychotic, acting as a selective D2 receptor antagonist. It is a possible drug for the treatment of schizophrenia. It has also been found to be effective in the treatment of Tourette''s syndrome in numerous clinical studies.
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