Desacetyl Famciclovir - ≥95% , CAS No.104227-88-5

CAS: 104227-88-5 Cat. No.: D345294 Summenformel: C₁₂H₁₇N₅O₃ Molekulargewicht: 279.3

QUALITÄT & REINHEIT ≥95%

Synonyms

9-[4-Acetoxy-3-(hydroxymethyl)butyl]-2-amino-9H-purine | BRL 43594 | 9-[4-acetoxy-3-(hydroxymethyl)but-1-yl]-2-aminopurine | DTXSID60434620 | MFCD08063728 | D80603 | 2-(2-(2-Amino-9H-purin-9-yl)ethyl)-3-hydroxypropyl acetate | MONOACETYL-6-DEOXY PENCICLOV

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

9-[4-Acetoxy-3-(hydroxymethyl)butyl]-2-amino-9H-purine | BRL 43594 | 9-[4-acetoxy-3-(hydroxymethyl)but-1-yl]-2-aminopurine | DTXSID60434620 | MFCD08063728 | D80603 | 2-(2-(2-Amino-9H-purin-9-yl)ethyl)-3-hydroxypropyl acetate | MONOACETYL-6-DEOXY PENCICLOV

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504765211

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765211

Kanonisches Lächeln

CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)CO

IUPAC Name

[4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] acetate

InChIKey

OUMGIMAEASXOJH-UHFFFAOYSA-N

INCHI

1S/C12H17N5O3/c1-8(19)20-6-9(5-18)2-3-17-7-15-10-4-14-12(13)16-11(10)17/h4,7,9,18H,2-3,5-6H2,1H3,(H2,13,14,16)

Isomere SMILES

CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)CO

Molekulargewicht

279.3

Reaxy-Rn

6427720

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6427720&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Aminopyrimidines and derivatives N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Aminopyrimidine - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO (Slightly, Heated), Methanol (Slightly, Heated, Sonicated)
• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 163-167°C
• Molekulargewicht: 279.300 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 279.133 Da
• Monoisotopic Mass: 279.133 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 330.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 104227-88-5, the molecular formula is C12H17N5O3, and the molecular weight is 279.3 g/mol. InChIKey OUMGIMAEASXOJH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.