Teniloxazine , CAS No.62473-79-4

CAS: 62473-79-4 Cat. No.: T1032707 PubChem CID: 119114

Storage

Room temperature

Specifications

Storage

Room temperature

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1COC(CN1)COC2=CC=CC=C2CC3=CC=CS3
• IUPAC Name: 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine
• InChIKey: OILWWIVKIDXCIB-UHFFFAOYSA-N
• INCHI: 1S/C16H19NO2S/c1-2-6-16(19-12-14-11-17-7-8-18-14)13(4-1)10-15-5-3-9-20-15/h1-6,9,14,17H,7-8,10-12H2
• Isomeric SMILES: C1COC(CN1)COC2=CC=CC=C2CC3=CC=CS3
• Alternate CAS: 62473-79-4
• PubChem CID: 119114
• MeSH Entry Terms: sufoxazine;teniloxazine;Y 8894;Y-8894

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Morpholines Thiophenes Heteroaromatic compounds Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - Oxazinane - Heteroaromatic compound - Thiophene - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Secondary amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Chemical and Physical Properties

• Molecular Weight: 289.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 289.114 Da
• Monoisotopic Mass: 289.114 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 290.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1