基本情報
- CAS
1147-62-2- 標準SMILES
CCCC(C(=O)c1ccc(C)cc1)N1CCCC1.Cl- InChIKey
MWRACNBZNVAJHE-UHFFFAOYSA-N- 分子式
- C16H24ClNO
- 平均分子量
- 281.82 g/mol
- 単同位体質量
- 281.1546421
名称と識別子
- 優先名称
- 1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1)
- IUPAC
- 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
名称と別名
PYROVALERONE HYDROCHLORIDEThymergixPyrovalerone HCl1147-62-21-(p-Methylphenyl)-2-pyrrolidyl-1-pentanone hydrochlorideValerophenone, 4'-methyl-2-(1-pyrrolidinyl)-, hydrochlorideZ95Z9C2201SP-10591-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochlorideF-19831-PENTANONE, 1-(4-METHYLPHENYL)-2-(1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)RefChem:177880
名称をさらに表示
214-556-9CentrotonF 1983Pyrovalerone hydrochloride [USAN]4'-Methyl-2-(1-pyrrolidinyl)valerophenone hydrochloridePyrovalerone.HCl1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloridePyrovalerone hydrochloride (USAN)
データベース識別子
- CAS
1147-62-2- PubChem CID
- 14372
- DTXSID
DTXSID70921470- ChEMBL
CHEMBL2104793- UNII
- Z95Z9C2201
- EC Number
- 214-556-9
物性
構造計算による物性
- 極性表面積
- 20.3 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
- 5
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 262
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
化学と産業
薬理情報
MeSH Pharmacological Classification
A loosely defined group of drugs that tend to increase behavioral alertness, agitation, or excitation. They work by a variety of mechanisms, but usually not by direct excitation of neurons. The many drugs that have such actions as side effects to their main therapeutic use are not included here.
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…