基本情報
- CAS
478081-98-0- 標準SMILES
CCN(C(C)=O)c1cccc(-c2ccn3ncc(C#N)c3n2)c1- InChIKey
ZMUMYMWAIXXLIY-UHFFFAOYSA-N- 分子式
- C17H15N5O
- 平均分子量
- 305.33 g/mol
- 単同位体質量
- 305.1276601
名称と識別子
- 優先名称
- Isozaleplon
- IUPAC
- N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide
- 英語名
- N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide
- 分子式
- C17H15N5O
- 分子量
- 305.33
名称と別名
Isozaleplon478081-98-0N-(3-(3-Cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl)-N-ethylacetamiden-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-n-ethylacetamideUNII-YP251266R0YP251266R0N-(3-(3-Cyanopyrazolo[1,5-alpha]pyrimidin-5-yl)phenyl)-N-ethylacetamideDTXSID50197297N-(3-(3-Cyanopyrazolo(1,5-a)pyrimidin-5-yl)phenyl)-N-ethylacetamideN-(3-(3-Cyanopyrazolo(1,5-alpha)pyrimidin-5-yl)phenyl)-N-ethylacetamideN-(3-{3-CYANOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL}PHENYL)-N-ETHYLACETAMIDEN-(3-(3-CYANOPYRAZOLO(1,5-.ALPHA.)PYRIMIDIN-5-YL)PHENYL)-N-ETHYLACETAMIDE
名称をさらに表示
Zaleplon USP Related Compound BN-(3-(3-Cyanopyrazolo[1,5-α]pyrimidin-5-yl)phenyl)-N-ethylacetamideN-(3-(3-Cyanopyrazolo[1,5-±]pyrimidin-5-yl)phenyl)-N-ethylacetamideAcetamide, N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethyl-
RefChem:150170DTXCID60119788N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethyl-acetamide7-(N-Ethylacetamidophenyl)-5-(N-ethylacetamidophenyl) ZaleplonAcetamide, N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethyl-; N-[3-(3-Cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide; Zaleplon RC B CIV (USP); Zaleplon Related Compound BZaleplon Impurity 17SCHEMBL3162849ZMUMYMWAIXXLIY-UHFFFAOYSA-N
データベース識別子
- CAS
478081-98-0- PubChem CID
- 9879548
- DTXSID
DTXSID50197297- UNII
- YP251266R0
- Nikkaji
- J2.815.515H
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 74.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 487
物理化学的性質
- 融点
- 203 · 203-205 °C
- 比重(密度)
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- -1.4 · -1.40±0.50(Predicted)
安全と法規制
安全データ
- hs_code
- 9999999999
化学と産業
応用分野
使用(N-[3-(3-Cyanopyrazolo[1,5-alpha]pyrimidin-5-yl)phenyl]-N-ethylacetamide) is used in the synthesis of Zaleplon (Z145000), which is a selective non-benzodiazepine GABAA receptor agonist, and a sedative-hypnotic, almost entirely used for the management/treatment of insomnia.
サプライヤー5 社
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
関連反応
3 件
化合物ノート
読み込み中…