Losulazine , CAS No.72141-57-2

CAS: 72141-57-2 Cat. No.: L1053498 PubChem CID: 54750

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

• Sorrisi canonici: C1CN(CCN1C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)S(=O)(=O)C5=CC=C(C=C5)F
• IUPAC Name: [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
• InChIKey: SYJKIRZBDWNJSB-UHFFFAOYSA-N
• INCHI: 1S/C27H22F4N4O3S/c28-20-4-8-22(9-5-20)39(37,38)35-15-13-34(14-16-35)26(36)18-1-6-21(7-2-18)33-24-11-12-32-25-17-19(27(29,30)31)3-10-23(24)25/h1-12,17H,13-16H2,(H,32,33)
• Isomeri SMILES: C1CN(CCN1C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)S(=O)(=O)C5=CC=C(C=C5)F
• CAS alternativo: 72141-57-2
• PubChem CID: 54750

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Aminobenzamides Benzenesulfonamides Benzamides Benzenesulfonyl compounds Aniline and substituted anilines Benzoyl derivatives Aminopyridines and derivatives Fluorobenzenes Aryl fluorides Piperazines Organosulfonamides Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Secondary amines Organofluorides Organooxygen compounds Organopnictogen compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Aminobenzamide - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Aminopyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Pyridine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 558.500 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 558.135 Da
• Monoisotopic Mass: 558.135 Da
• Topological Polar Surface Area: 91.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 938.000
• Isotope Atom Count: 0
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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

The CAS Number is 72141-57-2. InChIKey SYJKIRZBDWNJSB-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.