(2,4-ジフルオロフェニル)-4-ピペリジルメタノンオキシム塩酸塩

Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)

HCID 57357481

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 135634-18-3
標準SMILES: Cl.ON=C(c1ccc(F)cc1F)C1CCNCC1
InChIKey: CPVWKXXFKMUDPA-UHFFFAOYSA-N
分子式: C12H15ClF2N2O
平均分子量: 276.71 g/mol
単同位体質量: 276.08409722

名称と識別子

優先名称: Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)
IUPAC: N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride
現地名: (2,4-ジフルオロフェニル)-4-ピペリジルメタノンオキシム塩酸塩
英語名: 2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride
分子式: C12H14F2N2O.ClH
分子量: 276.71

名称と別名

135634-18-3Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)RefChem:10891102,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride(2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime hydrochloride(2,4-difluorophenyl)-(4-piperidyl)methanone oxime;hydrochloride((2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime hydrochlorideSCHEMBL1833472DTXSID90723695CPVWKXXFKMUDPA-UHFFFAOYSA-NN-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochlorideSB43108

名称をさらに表示

(2,4-ジフルオロフェニル)-4-ピペリジルメタノンオキシム塩酸塩NH26248Paliperidone Impurity 30Paliperidone Impurity 15 HClPaliperidone Impurity 12 HClPaliperidone Impurity 105 HCl(2, 4-dp)-piperidin-4-yl-methanone oximehcl(2,4-DIFLUOROPHENYL)(PIPERIDIN-4-YL)METHANONE OXIME HCL(2,4-difluorophenyl) (piperidin-4-yl) methanone oxime HCI4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride(2,4-Difluorophenyl)-4-piperidylMethanone OxiMe Hydrochloride

DB-063089ZZ4X-111126aliperidone Impurity 105 HCl4-(2,4-difluorobenzoyl)piperidine oxime hydrochloride4-(2,4-difluoro-benzoyl)-piperidine-oxime-hydrochloride4-(2,4-difluoro-benzoyl)piperidine-oxime hydrochloride2,4-difluorophenyl(4-piperidinyl)methanone oxime hydrochloride2,4-difluorophenyl-(4-piperidinyl)-methanone oxime hydrochlorideN-[(2,4-Difluorophenyl)(piperidin-4-yl)methylidene]hydroxylamine--hydrogen chloride (1/1)

データベース識別子

CAS: 135634-18-3
PubChem CID: 57357481
DTXSID: DTXSID90723695
EC Number: 603-927-4

物性

構造計算による物性

極性表面積: 44.6 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 280

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder to crystal
色: White to Almost white

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 1 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 CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2933.39.9200

化学と産業

応用分野

使用NH26248 is used in preparation of Iloperidone. Also, used in preparation of Amine derivatives as Potassium channel blockers useful in treatment and prevention of autoimmune and inflammatory diseases.