Nudifloramide-d3 - ≥95 atom% D,≥95% , CAS No.1207384-48-2

CAS: 1207384-48-2 Cat. No.: N349303 Summenformel: C₇H₅D₃N₂O₂ Molekulargewicht: 155.17

GRADE & PURITY ≥95 atom% D,≥95%

Synonyms

CHEBI:145118 | 1-(~2~H_3_)Methyl-6-oxo-1,6-dihydropyridine-3-carboxamide | 6-Oxo-1-(trideuteriomethyl)pyridine-3-carboxamide | Nudifloramide-d3 | 1-(methyl-d3)-2-pyridoxone-5-carboxamide | DTXSID70858232 | 1207384-48-2 | Met-2Pyr-d3 | d3 Me-2-py | MS-2287

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

CHEBI:145118 | 1-(~2~H_3_)Methyl-6-oxo-1,6-dihydropyridine-3-carboxamide | 6-Oxo-1-(trideuteriomethyl)pyridine-3-carboxamide | Nudifloramide-d3 | 1-(methyl-d3)-2-pyridoxone-5-carboxamide | DTXSID70858232 | 1207384-48-2 | Met-2Pyr-d3 | d3 Me-2-py | MS-2287

Spezifikationen & Reinheit

≥95 atom% D,≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Aktionsart

INHIBITOR

Reinheit

≥95 atom% D,≥95%

Namen und Kennungen

Pubchem Sid

504772225

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772225

Kanonisches Lächeln

CN1C=C(C=CC1=O)C(=O)N

IUPAC Name

6-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide

InChIKey

JLQSXXWTCJPCBC-FIBGUPNXSA-N

INCHI

1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)/i1D3

Isomere SMILES

[2H]C([2H])([2H])N1C=C(C=CC1=O)C(=O)N

Molekulargewicht

155.17

Reaxy-Rn

124385

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124385&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Ebene5 Pyridinecarboxamides
          • Ebene6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Pyridinones Dihydropyridines Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Dihydropyridine - Pyridinone - Hydropyridine - Vinylogous amide - Heteroaromatic compound - Primary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
• 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

• Löslichkeit: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
• Schmelzpunkt (°C): 200-205° C (dec.)
• Molekulargewicht: 155.170 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.077 Da
• Monoisotopic Mass: 155.077 Da
• Topological Polar Surface Area: 63.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 266.000
• Isotope Atom Count: 3
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is isotopically enriched to ≥95 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. 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. Refrigerated storage is required to maintain the specified shelf life.

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 1207384-48-2, the molecular formula is C7H5D3N2O2, and the molecular weight is 155.17 g/mol. InChIKey JLQSXXWTCJPCBC-FIBGUPNXSA-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.