Capmatinib dihydrochloride - ≥99% , CAS No.1197376-85-4

CAS: 1197376-85-4 Cat. No.: C1327132 Peso molecular: 485.3 Número EC: 695-736-8

GRADE & PURITY ≥99%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F.Cl.Cl
• IUPAC Name: 2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide;dihydrochloride
• InChIKey: ZTNPHABKLIJXTL-UHFFFAOYSA-N
• INCHI: 1S/C23H17FN6O.2ClH/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20;;/h2-9,11-13H,10H2,1H3,(H,25,31);2*1H
• Peso molecular: 485.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: 2-halobenzoic acids and derivatives Imidazo[1,2-a][1,2,4]triazines Benzamides Benzoyl derivatives Fluorobenzenes Pyridines and derivatives 1,2,4-triazines Aryl fluorides N-substituted imidazoles Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Imidazo[1,2-a][1,2,4]triazine - Benzamide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - N-substituted imidazole - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - 1,2,4-triazine - Monocyclic benzene moiety - Triazine - Azole - Heteroaromatic compound - Imidazole - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Propiedades químicas y físicas

• Peso molecular: 485.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 484.098 Da
• Monoisotopic Mass: 484.098 Da
• Topological Polar Surface Area: 85.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 637.000
• 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: 3

XLogP3