Linsidomine - ≥95% , CAS No.33876-97-0

CAS: 33876-97-0 Cat. No.: L1073882 分子式: C₆H₁₀N₄O₂ 分子量: 170.17 PubChem CID: 5219

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

仕様と純度

≥95%

保管条件

Room temperature

アクションタイプ

ACTIVATOR

純度

≥95%

名前と識別子

• カノニカル・スマイル: C1COCCN1[N+]2=CC(=N)O[N-]2
• IUPAC Name: 3-morpholin-4-yl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine
• InChIKey: FKDHHVKWGRFRTG-UHFFFAOYSA-N
• INCHI: 1S/C6H10N4O2/c7-6-5-10(8-12-6)9-1-3-11-4-2-9/h5,7H,1-4H2
• 異性体SMILES: C1COCCN1[N+]2=CC(=N)O[N-]2
• PubChem CID: 5219
• 分子量: 170.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Heteroaromatic compounds 1,2,3-oxadiazoles Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Morpholine - Azole - Oxadiazole - 1,2,3-oxadiazole - Heteroaromatic compound - Oxacycle - Azacycle - Dialkyl ether - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 分子量: 170.170 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 170.08 Da
• Monoisotopic Mass: 170.08 Da
• Topological Polar Surface Area: 49.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 222.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Meili Yang, Zuzhe Kang, Xinpei Zhong, Sirui Bai, Dong-En Wang, Qin Tu, Sheng Chen, Jinyi Wang, Mao-Sen Yuan.  (2025)  Visualizing GSH-ONOO− Redox and Tracking Lesion-Remedy of Acute Kidney Oxidative Injury Based on a Dual-Site Chemosensor.  Advanced Healthcare Materials,      [PMID:40424091] [10.1002/adhm.202500907]

2. Bin Yin, Yi Chen Xu, Yong Lu.  (2025)  Oxidative stress-mediated apoptosis via the SLC23A2-ascorbic acid interaction contributes to cleft lip development.  Frontiers in Pediatrics,      [PMID:41113559] [10.3389/fped.2025.1632778]