HCID126756

Gyki-53405

1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone

C19H19N3O3337.4 g/molCAS 143691-37-6

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IDENTITY

结构与身份

标准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
单同位素质量: 337.14264148

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 77.2 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 1
重原子: 25
形式电荷: 0
复杂度: 544

GHS

GHS分类

GHS Classification

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.

HAZARDS

危害信息

Hazard Classes and Categories

Acute Tox. 3 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

ALIASES

名称与别名

共 26 条

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 3001647-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

REACTIONS

相关反应

25 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05519019

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05519019

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05519019

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05519019

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