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

CAS: 1020719-76-9 Cat. No.: R334341 分子式: C₂₃H₂₃D₄FN₄O₂ 分子量: 414.51 EC番号: 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

概要

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

Specifications

同義語

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

仕様と純度

≥99 atom% D,≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥99 atom% D,≥98%

名前と識別子

• パブケム・シド: 528770138
• カノニカル・スマイル: 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
• 異性体SMILES: [2H]C([2H])(C1=C(N=C2CCCCN2C1=O)C)C([2H])([2H])N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
• 代替CAS番号: 106266-06-2
• UN番号: 2811
• 包装グループ: III
• 分子量: 414.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• 融点（°C）: 158-160° C
• 分子量: 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