Paliperidone palmitate - Moligand™,≥99% , Serotonin 2a (5-HT2a) receptor antagonist, CAS No.199739-10-1, Serotonin 2a (5-HT2a) receptor antagonist

CAS: 199739-10-1 Cat. No.: H302700 Peso molecular: 664.89 Número EC: 682-873-3

GRADE & PURITY Moligand™, ≥99%

Synonyms

UNII-R8P8USM8FR | PALIPERIDONE PALMITATE [WHO-DD] | Q27157250 | AKOS030526057 | Trinza | 1,10-Trimethylene-8-methyl-1,2,3,4-tetrahydropyrazino(1,2-a)indole hydrochloride | (8R,9S,13S,14S,16R)-3,16-DIHYDROXY-13-METHYL-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCL

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

UNII-R8P8USM8FR | PALIPERIDONE PALMITATE [WHO-DD] | Q27157250 | AKOS030526057 | Trinza | 1, 10-Trimethylene-8-methyl-1, 2, 3, 4-tetrahydropyrazino(1, 2-a)indole hydrochloride | (8R, 9S, 13S, 14S, 16R)-3, 16-DIHYDROXY-13-METHYL-7, 8, 9, 11, 12, 14, 15, 16-OCTAHYDRO-6H-CYCL

Especificaciones y pureza

Moligand™, ≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Serotonin 2a (5-HT2a) receptor antagonist

Pureza

≥99%

Propiedades del producto

• ALogP: 10.1

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCC(=O)OC1CCCN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C
• IUPAC Name: [3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate
• InChIKey: VOMKSBFLAZZBOW-UHFFFAOYSA-N
• INCHI: 1S/C39H57FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3
• Isómeros SMILES: CCCCCCCCCCCCCCCC(=O)OC1CCCN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C
• Peso molecular: 664.89
• Reaxy-Rn: 15026585
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15026585&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrimidines
• Alternative Parents: Benzisoxazoles Aralkylamines Pyrimidones Fatty acid esters Pyridines and derivatives Piperidines Aryl fluorides Benzenoids Heteroaromatic compounds Isoxazoles Trialkylamines Amino acids and derivatives Carboxylic acid esters Lactams Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridopyrimidine - Benzisoxazole - Fatty acid ester - Pyrimidone - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Pyridine - Pyrimidine - Benzenoid - Fatty acyl - Heteroaromatic compound - Azole - Isoxazole - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Lactam - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Oxacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: organofluorine compound - fatty acid ester - pyridopyrimidine - 1,2-benzoxazoles - heteroarylpiperidine

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

• Sensibilidad: Air、Light、Heat and Moisture sensitive
• Punto de fusión (°C): 115.0— 119.0°C
• Peso molecular: 664.900 g/mol
• XLogP3: 10.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 20
• Exact Mass: 664.436 Da
• Monoisotopic Mass: 664.436 Da
• Topological Polar Surface Area: 88.200 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 1090.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1