基本情報
- 標準SMILES
Cl.Cl.O=c1[nH]c2ncccc2n1C1CCNCC1- InChIKey
OHUCGNJZMRINKX-UHFFFAOYSA-N- 分子式
- C11H16Cl2N4O
- 平均分子量
- 291.17 g/mol
- 単同位体質量
- 290.07011649
概要
See other relationships...
名称と識別子
- 優先名称
- 1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-one dihydrochloride
- IUPAC
- 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
名称と別名
1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-one dihydrochloride1-piperidin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one dihydrochloride1-(piperidin-4-yl)-1H,2H,3H-imidazo(4,5-b)pyridin-2-one dihydrochloride1-Piperidin-4-yl-1,3-dihydroimidazo(4,5-b)pyridin-2-one dihydrochlorideRefChem:428316937-843-7781649-84-11-(Piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one dihydrochloride1-piperidin-4-yl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one dihydrochlorideMFCD147051731-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride2-Oxo-1-(4-piperidinyl)-2,3-dihydro-1H-imidazo[4,5-b]pyridine dihydrochloride
名称をさらに表示
1-(Piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one (Hydrochloride)OHUCGNJZMRINKX-UHFFFAOYSA-N1,3-Dihydro-1-(4-piperidinyl)-2H-imidazo[4,5-b]pyridin-2-one DihydrochlorideRimegepant Impurity 2 DiHClSCHEMBL438908orb3143748CHEMBL3498426SCHEMBL30007314
データベース識別子
- CAS
781649-84-1- PubChem CID
- 22293181
- DTXSID
DTXSID80624480- ChEMBL
CHEMBL3498426- EC Number
- 937-843-7
物性
構造計算による物性
- 極性表面積
- 57.3 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 277
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
関連反応
145 件
関連ノート
読み込み中…