5-(4-アミノフェニル)-8-メチル-7-アセチル-8,9-ジヒドロ-7H-1,3-ジオキソロ[4,5-h][2,3]ベンゾジアゼピン

Gyki-53405

HCID 126756

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 143691-37-6
標準SMILES: CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1C)OCO3
InChIKey: JACAAXNEHGBPOQ-UHFFFAOYSA-N
分子式: C19H19N3O3
平均分子量: 337.4 g/mol
単同位体質量: 337.14264148

名称と識別子

優先名称: Gyki-53405
IUPAC: 1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone
現地名: 5-(4-アミノフェニル)-8-メチル-7-アセチル-8,9-ジヒドロ-7H-1,3-ジオキソロ[4,5-h][2,3]ベンゾジアゼピン
英語名: GYKI 53405
分子式: C19H19N3O3
分子量: 337.37

名称と別名

Gyki-53405Gyki 53405RefChem:922638143691-37-6LY 2936061-(4-Aminophenyl)-3-acetyl-4-methyl-3,4-dihydro-7,8-methylenedioxy-5H-2,3-benzodiazepine1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanoneEthanone, 1-[5-(4-aminophenyl)-8,9-dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-7-yl]-GYKI 53774JACAAXNEHGBPOQ-UHFFFAOYSA-NGYKI-53773;LY-300164LY 300165; ent-LY 300164

名称をさらに表示

5-(4-アミノフェニル)-7-アセチル-8-メチル-7,8-ジヒドロ-2H,9H-1,3-ジオキサ-6,7-ジアザシクロヘプタ[f]インデン4-[(7,8-ジヒドロ-7-アセチル-8-メチル-9H-1,3-ジオキソロ[4,5-h][2,3]ベンゾジアゼピン)-5-イル]アニリン1-[10-(4-アミノフェニル)-13-メチル-4,6-ジオキサ-11,12-ジアザトリシクロ[7.5.0.03,7]テトラデカ-1,3(7),8,10-テトラエン-12-イル]エタン-1-オン5-(p-アミノフェニル)-7-アセチル-8,9-ジヒドロ-8-メチル-7H-1,3-ジオキソロ[4,5-h][2,3]ベンゾジアゼピン5-(4-アミノフェニル)-8-メチル-7-アセチル-8,9-ジヒドロ-7H-1,3-ジオキソロ[4,5-h][2,3]ベンゾジアゼピン

7-Acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepineSCHEMBL118012orb1697025AKOS0305991177H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 7-acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-DB-063491DB-064417NS00122435

データベース識別子

CAS: 143691-37-6
PubChem CID: 126756
EC Number: 806-210-6
Nikkaji: J660.383A

物性

構造計算による物性

XLogP: 2.7
極性表面積: 77.2 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 25
形式電荷: 0
複雑度: 544

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 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.