[Fe(CN)5(η2-ON)](2-) | 1193309-06-6

• 分子结构分类: 有机化合物
• 英文名称: [Fe(CN)5(η2-ON)](2-)
• 英文别名: iron(4+);nitroxyl anion;pentacyanide
• CAS: 1193309-06-6
• 化学式: C₅FeN₆O
• 分子量: 215.942
• InChiKey: PAORBFBZBNPTCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  12

ADMET

代谢

通过与人血红蛋白反应产生氰化高铁血红蛋白和氰离子而被代谢

Metabolized by reaction with hemoglobin to produce cyanmethemoglobin and cynide ions

来源:DrugBank

吸收、分配和排泄

• 消除途径

一个分子硝普钠与血红蛋白结合后，代谢生成一分子的氰化高铁血红蛋白和四个CN¯离子，硫代硫酸盐与氰化物反应生成硫氰酸盐，硫氰酸盐通过尿液排出体外。

One molecule of sodium nitroprusside is metabolized by combination with hemoglobin to produce one molecule of cyanmethemoglobin and four CN¯ ions, thiosulfate reacts with cyanide to produce thiocyanate, thiocyanate is eliminated in the urine.

来源:DrugBank

反应信息

• 作为产物：
  描述：

  disodium pentacyanonitrosylferrate(II) dihydrate 以 neat (no solvent) 为溶剂， 生成 [Fe(CN)5(η2-ON)](2-)
  参考文献：
  名称：

  Angle-dependent Mössbauer study of the ground and second new metastable state in Na2[Fe(CN)5NO]·2H2O single crystals

  摘要：

  We report the results of an angle-dependent Mossbauer experiment with sodium nitroprusside single crystal cuts populated to the maximum possible value with the second new metastable state SII of the nitrosyl [Fe(CN)(5)NO](2-) ion by light irradiation with 1064 nm. All Mossbauer parameters are determined: isomer shift IS = +0.194(3) mm/s, quadrupole splitting DeltaE(Q) = +2.862(3) mm/s, asymmetry parameter of the electric field gradient (EFG) tensor eta = 0.17(5), orientation angle of the main component of the EFG a = 37.3(5)degrees, orientation angle of the mean square displacement tensor omega = 2(7)degrees, and Lamb-Mossbauer factors for all principal crystallographic directions f(LM)(a) = 0.70(2),f(LM)(b) = 0.57(2), and f(LM)(c) = 0.74(3), respectively. The experimentally measured values are compared with the results of three independent density functional theory calculations. Only the simulated isomer shift and the absolute value of the quadrupole splitting agree quantitatively with the experimentally measured values. The contradiction between some experimentally measured and calculated values is explained by the static side-on conformation used in the calculations for SII. Probably, the ON-group is in reality almost free to rotate around the average symmetry axis and performs bending vibrations between the isonitrosyl structure continued for the first new state SI and the static sidewards bonded conformation proposed for SII. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0038-1098(03)00146-7

文献信息

• Breath component monitoring device
  申请人：Abbott Laboratories

  公开号：US05174959A1

  公开（公告）日：1992-12-29

  The present invention relates to methods and materials for the detection of ketone and aldehyde analytes in fluid samples by means of reacting analyte containing samples with a first solid matrix material to which a nitroprusside salt is coupled and a second solid matrix material to which an amine is covalently coupled. Methods and devices are also provided for ascertaining the fat catabolism effects of a weight loss dietary regimen comprising determining the breath acetone concentration of the subject.

  本发明涉及通过将含有酮和醛分析物的样品与第一固体基质材料和第二固体基质材料反应，其中第一固体基质材料与硝普利酮盐耦合，第二固体基质材料与胺共价耦合，以检测流体样品中的酮和醛分析物的方法和材料。还提供了确定减重饮食方案脂肪分解作用的方法和装置，包括测定受试者呼气中丙酮浓度的方法。
• Method and device for ketone measurements
  申请人：Abbott Laboratories

  公开号：US04970172A1

  公开（公告）日：1990-11-13

  The present invention relates to methods and materials for the detection of ketone and aldehyde analytes in fluid samples by means of reacting analyte containing samples with a first solid matrix material to which a nitroprusside salt is coupled and a second solid matrix material to which an amine is covalently coupled. Methods and devices are also provided for ascertaining the fat catabolism effects of a weight loss dietary regimen comprising determining the breath acetone concentration of the subject.

  本发明涉及通过将含有酮和醛分析物的样品与第一固体基质材料和第二固体基质材料反应，其中第一固体基质材料与硝普利盐偶联，第二固体基质材料与胺共价偶联，以检测液体样品中的酮和醛分析物的方法和材料。本发明还提供了用于确定减重饮食方案的脂肪分解作用的方法和装置，包括确定受试者呼吸中丙酮浓度的方法。
• Method and device for ketone measurement
  申请人：Abbott Laboratories

  公开号：US05071769A1

  公开（公告）日：1991-12-10

  Methods and materials detect ketone and aldehyde analytes in fluid samples by reacting analyte containing samples with a first solid matrix material to which a nitroprusside salt is coupled and a second solid matrix material to which an amine is covalently coupled. Methods and devices are also provided for ascertaining the fat catabolism effects of a weight loss dietary regimen comprising determining the breath acetone concentration of the subject.

  该方法和材料通过将含有酮和醛分析物的样品与第一固体基质材料反应，该基质材料与硝普利盐耦合，以及与一种胺共价耦合的第二固体基质材料，来检测液体样品中的酮和醛分析物。还提供了确定减肥饮食计划的脂肪分解作用的方法和设备，包括确定受试者呼气中丙酮浓度。