Collagen proline hydroxylase inhibitor , CAS No.223666-07-7

CAS: 223666-07-7 Cat. No.: C1337360 Peso molecular: 354.4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CCCN(CC)C(=O)C1=CN=C2C(=C1)C=CC3=C2NC=C(C3=O)[N+](=O)[O-]
• IUPAC Name: N-ethyl-8-nitro-7-oxo-N-propyl-10H-1,10-phenanthroline-3-carboxamide
• InChIKey: XUARBCHSPWMKRC-UHFFFAOYSA-N
• INCHI: 1S/C18H18N4O4/c1-3-7-21(4-2)18(24)12-8-11-5-6-13-16(15(11)19-9-12)20-10-14(17(13)23)22(25)26/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,23)
• Peso molecular: 354.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Phenanthrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Phenanthrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrolines
• Alternative Parents: Quinoline-3-carboxamides Nitroquinolines and derivatives Hydroquinolones Hydroquinolines Pyridinecarboxylic acids and derivatives Nitroaromatic compounds Benzenoids Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic salts Organooxygen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,10-phenanthroline - Quinoline-3-carboxamide - Nitroquinoline - Dihydroquinolone - Dihydroquinoline - Quinoline - Pyridine carboxylic acid or derivatives - Nitroaromatic compound - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.
• 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: 354.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 354.133 Da
• Monoisotopic Mass: 354.133 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 615.000
• 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