11-(クロロアセチル)-5,11-ジヒドロ-6H-ピリド[2,3-b][1,4]ベンゾジアゼピン-6-オン

11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one

HCID 120053CAS 28797-48-0

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1Nc2cccnc2N(C(=O)CCl)c2ccccc21
InChIKey: RMBZFWLMYVPNGI-UHFFFAOYSA-N
分子式: C14H10ClN3O2
平均分子量: 287.7 g/mol
単同位体質量: 287.0461543

名称と識別子

優先名称: 11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
IUPAC: 11-(2-chloroacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
現地名: 11-(クロロアセチル)-5,11-ジヒドロ-6H-ピリド[2,3-b][1,4]ベンゾジアゼピン-6-オン
英語名: 5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one
分子式: C14H10ClN3O2
分子量: 287.7

名称と別名

28797-48-011-(Chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one11-(2-chloroacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one3MF3ZSQ8A6EINECS 249-227-911-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-(2-chloroacetyl)-5,11-dihydro-DTXSID0018297611-(2-chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one11-(2-CHLOROACETYL)-5H-PYRIDO(2,3-B)(1,4)BENZODIAZEPIN-6-ONE2-CHLORO-1-(6-HYDROXY-11H-PYRIDO(2,3-B)(1,4)BENZODIAZEPIN-11-YL)ETHANONE6H-PYRIDO(2,3-B)(1,4)BENZODIAZEPIN-6-ONE, 11-(2-CHLOROACETYL)-5,11-DIHYDRO-

名称をさらに表示

11-(クロロアセチル)-5,11-ジヒドロ-6H-ピリド[2,3-b][1,4]ベンゾジアゼピン-6-オン5,11-ジヒドロ-11-クロロアセチル-6H-ピリド[2,3-B][1,4]ベンゾジアゼピン-6-オン2-(2-クロロアセチル)-2,4,9-トリアザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-10-オンdcpboPirenzepine EP Impurity AN'-(2-chloro-3-pyridinyl)-N,N-dimethylmethanimidamide11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodia...11-(CHLOROACETYL)-5,11-DIHYDRO-6H-PYRIDO[3,2-C][2]BENZAZEPIN-6-ONE5,11-Dihydro-11-Chloroacetyl-6H-Pyrido[2,3-B][1,4]Benzodiazepin-6-One5,11-DIHYDRO-11-CHLOROACETYL-6H-PYRIDOP2,3-B][1,4]BENZODIAZEPINE-6-ONE1-(2-Chloroacetyl)-5,11-dihydro-pyrido-[2,3-b][1,4]benzodiazepin-6-one

11-(2-Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one2-chloro-1-(6-hydroxy-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethanoneRefChem:437199DTXCID40105467249-227-911-(2-Chloroacetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-oneMFCD01948712

データベース識別子

CAS: 28797-48-0
PubChem CID: 120053
DTXSID: DTXSID00182976
ChEMBL: CHEMBL1480996
UNII: 3MF3ZSQ8A6
EC Number: 249-227-9
Nikkaji: J286.457F

物性

構造計算による物性

XLogP: 0.8
極性表面積: 62.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 20
形式電荷: 0
複雑度: 404

実験および物理化学的性質

Solubility>43.2 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

比重(密度): 1.415 · 1.415
屈折率: 1.637 · 1.637
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: DMSO (Slightly), Methanol (Slightly, Sonicated)
外見: Solid
色: White to Off-White

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.