Risperidone-d4 - ≥99 atom% D,≥98% , CAS No.1020719-76-9

CAS: 1020719-76-9 Cat. No.: R334341 Fórmula: C₂₃H₂₃D₄FN₄O₂ Peso molecular: 414.51 Número CE: 696-055-9

GRADE & PURITY ≥99 atom% D,≥98%

Synonyms

AKOS025147391 | 1020719-76-9 | HY-110232 | 3-[2-4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one-d4 | 3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl](~2~H_4_)ethyl}-2-methyl-6,7,8,9-t

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Risperidone-d4 is a deuterated version of Risperidone, a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist.

Specifications

Sinónimos

AKOS025147391 | 1020719-76-9 | HY-110232 | 3-[2-4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one-d4 | 3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl](~2~H_4_)ethyl}-2-methyl-6,7,8,9-t

Especificações e pureza

≥99 atom% D,≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥99 atom% D,≥98%

Nomes e identificadores

• Pubchem Sid: 528770138
• Sorrisos canónicos: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
• IUPAC Name: 2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
• InChIKey: RAPZEAPATHNIPO-RIEWMPPISA-N
• INCHI: 1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3/i9D2,13D2
• SMILES isoméricas: [2H]C([2H])(C1=C(N=C2CCCCN2C1=O)C)C([2H])([2H])N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
• CAS alternativo: 106266-06-2
• Número UN: 2811
• Grupo de embalagem: III
• Peso molecular: 414.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrimidines
• Alternative Parents: Benzisoxazoles Aralkylamines Pyrimidones Pyridines and derivatives Piperidines Aryl fluorides Benzenoids Heteroaromatic compounds Isoxazoles Trialkylamines Lactams Azacyclic compounds Oxacyclic compounds Organic oxides Organofluorides Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridopyrimidine - Benzisoxazole - Aralkylamine - Pyrimidone - Aryl fluoride - Aryl halide - Piperidine - Benzenoid - Pyridine - Pyrimidine - Azole - Heteroaromatic compound - Isoxazole - Lactam - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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: 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

Propriedades químicas e físicas

• Solubilidade: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Ponto de fusão (°C): 158-160° C
• Peso molecular: 414.500 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 414.237 Da
• Monoisotopic Mass: 414.237 Da
• Topological Polar Surface Area: 61.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 731.000
• Isotope Atom Count: 4
• 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