4-[4,5-Bis(hydroxymethyl)-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]butan-2-yl nitrate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[4,5-Bis(hydroxymethyl)-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]butan-2-yl nitrate
• 英文别名: 4-[4,5-bis(hydroxymethyl)-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]butan-2-yl nitrate
• 化学式: C13H17NO7
• 分子量: 299.28
• InChiKey: CTKIRBHCKZTSRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS
  申请人：NICOX S.A.

  公开号：US20140135389A1

  公开（公告）日：2014-05-15

  The present invention relates to nitric oxide donor compounds having a quinone based structure, to processes for their preparation and to their use in the treatment of pathological conditions where a deficit of NO plays an important role in their pathogenesis.
• US20140342998A1
  申请人：——

  公开号：US20140342998A1

  公开（公告）日：2014-11-20
• QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE
  申请人：NICOX SCIENCE IRELAND

  公开号：US20150283106A1

  公开（公告）日：2015-10-08

  The present invention relates to novel nitric oxide donor compounds for the use in the treatment and/or prophylaxis of hypertensive glaucoma, normotensive glaucoma and ocular hypertension.
• US9079821B2
  申请人：——

  公开号：US9079821B2

  公开（公告）日：2015-07-14
• US9061962B2
  申请人：——

  公开号：US9061962B2

  公开（公告）日：2015-06-23