Tegafur-Uracil - ≥99% , CAS No.74578-38-4

CAS: 74578-38-4 Cat. No.: T1019205 PubChem CID: 104747

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Spezifikationen & Reinheit

≥99%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

Kanonisches Lächeln

C1CC(OC1)N2C=C(C(=O)NC2=O)F.C1=CNC(=O)NC1=O

IUPAC Name

5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione

InChIKey

DHMYGZIEILLVNR-UHFFFAOYSA-N

INCHI

1S/C8H9FN2O3.C4H4N2O2/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;7-3-1-2-5-4(8)6-3/h4,6H,1-3H2,(H,10,12,13);1-2H,(H2,5,6,7,8)

Isomere SMILES

C1CC(OC1)N2C=C(C(=O)NC2=O)F.C1=CNC(=O)NC1=O

Alternative CAS-Nummer

74578-38-4

PubChem CID

104747

MeSH-Eintrag

1-(2-Tetrahydrofuryl)-5-fluorouracil;1-(Tetrahydro-2-furanyl)-5-fluorouracil;5-Fluoro-1-(tetrahydro-2-furanyl)-2,4-pyrimidinedione;Florafur;Fluorofur;FT 207;FT-207;FT207;Ftorafur;Futraful;N1-(2'-Tetrahydrofuryl)-5-fluorouracil;Sunfural S;Tegafur;Uftoral;U

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Pyrimidones Aryl fluorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Tetrahydrofurans Lactams Ureas Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Tetrahydrofuran - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 312.250 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 312.087 Da
• Monoisotopic Mass: 312.087 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 477.000
• 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: 2

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