Iferanserin - ≥99% , CAS No.58754-46-4

CAS: 58754-46-4 Cat. No.: I1337297 Summenformel: C₂₃H₂₈N₂O Molekulargewicht: 348.5 PubChem CID: 6445539

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C,Protected from light,Desiccated

Verschickt in

Wet ice

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

Aktionsart

ANTAGONIST

Reinheit

≥99%

Produkteigenschaften

ALogP

4.7

Namen und Kennungen

Kanonisches Lächeln

CN1CCCCC1CCC2=CC=CC=C2NC(=O)C=CC3=CC=CC=C3

IUPAC Name

(E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide

InChIKey

UXIPFQUBOVWAQW-UEBLJOKOSA-N

INCHI

1S/C23H28N2O/c1-25-18-8-7-12-21(25)16-15-20-11-5-6-13-22(20)24-23(26)17-14-19-9-3-2-4-10-19/h2-6,9-11,13-14,17,21H,7-8,12,15-16,18H2,1H3,(H,24,26)/b17-14+/t21-/m0/s1

Isomere SMILES

CN1CCCC[C@H]1CCC2=CC=CC=C2NC(=O)/C=C/C3=CC=CC=C3

Alternative CAS-Nummer

58754-46-4,951155-17-2

PubChem CID

6445539

MeSH-Eintrag

iferanserin

Molekulargewicht

348.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives
      • Subclass Cinnamic acid amides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Cinnamic acid amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid amides
• Alternative Parents: Anilides Alkaloids and derivatives Styrenes N-arylamides Aralkylamines Piperidines Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cinnamic acid amide - Alkaloid or derivatives - Anilide - Styrene - N-arylamide - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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: 348.500 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 348.22 Da
• Monoisotopic Mass: 348.22 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 455.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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