HCID4463

Nevirapine

2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

C15H14N4O266.3 g/molCAS 129618-40-2

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IDENTITY

结构与身份

标准SMILES: Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1
InChIKey: NQDJXKOVJZTUJA-UHFFFAOYSA-N
分子式: C15H14N4O
平均分子量: 266.3 g/mol
单同位素质量: 266.11676108

COMPUTED

结构计算性质

等待补全

XLogP: 2
极性表面积: 58.1 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 20
形式电荷: 0
复杂度: 397

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 176 条

nevirapine129618-40-2ViramuneBI-RG-587Nevirapine anhydrousViramune XRBIRG 0587Nevirapine, anhydrousNevirapine tevaBIRG587BIRG-058711-Cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneNevirapina11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONEDTXSID703179799DK7FVK1HNevirapinum anhydrousNSC-641530BIRG0587CHEBI:63613

REACTIONS

参与反应

20 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05620974

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uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05620974

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uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05620974

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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 (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-1996_10 · 10.6084/m9.figshare.5104873.v1 · US05569760

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uspto-grants-1996_10 · 10.6084/m9.figshare.5104873.v1 · US05569760

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