Suprafenacine - ≥98% , CAS No.1477482-50-0

CAS: 1477482-50-0 Cat. No.: S991535 Summenformel: C₁₆H₁₈N₄O Molekulargewicht: 282.34 PubChem CID: 6861947

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC1=CC=C(C=C1)C=NNC(=O)C2=NNC3=C2CCCC3
• IUPAC Name: N-[(E)-(4-methylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• InChIKey: WKKLZIQHOXPLLZ-LICLKQGHSA-N
• INCHI: 1S/C16H18N4O/c1-11-6-8-12(9-7-11)10-17-20-16(21)15-13-4-2-3-5-14(13)18-19-15/h6-10H,2-5H2,1H3,(H,18,19)(H,20,21)/b17-10+
• Isomere SMILES: CC1=CC=C(C=C1)/C=N/NC(=O)C2=NNC3=C2CCCC3
• PubChem CID: 6861947
• Molekulargewicht: 282.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Pyrazoles
        • Ebene5 Pyrazole carboxylic acids and derivatives
          • Ebene6 Pyrazole-5-carboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Pyrazole carboxylic acids and derivatives
• Direct Parent: Pyrazole-5-carboxamides
• Alternative Parents: Toluenes Heteroaromatic compounds Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazole-5-carboxamide - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrazole-5-carboxamides. These are compounds containing a pyrazole ring that carries a carboxamide group at the 4-position.
• 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: 282.340 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 282.148 Da
• Monoisotopic Mass: 282.148 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 390.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1