(R)-9-Hydroxy Risperidone
基本情報
- CAS
130049-85-3- 標準SMILES
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O- InChIKey
PMXMIIMHBWHSKN-LJQANCHMSA-N- 分子式
- C23H27FN4O3
- 平均分子量
- 426.5 g/mol
- 単同位体質量
- 426.2067189
概要
(R)-paliperidone is a 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one that is the (R)-enantiomer of paliperidone. It is an enantiomer of a (S)-paliperidone.
名称と識別子
- 優先名称
- (R)-9-Hydroxy Risperidone
- IUPAC
- (9R)-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
- 英語名
- (R)-9-Hydroxy Risperidone
- 分子式
- C23H27FN4O3
- 分子量
- 426.48
名称と別名
(R)-9-Hydroxy Risperidone130049-85-3(R)-paliperidone(+)-9-HydroxyrisperidonePaliperidone R-IsomerPaliperidone, (R)-29F930S8Z1(9R)-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-oneDTXCID20289859-hydroxy risperidone(9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one(9R)-3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
名称をさらに表示
(R)-Paliperidone-d4Paliperidone Impurity 6(R-Isomer)Risperidone EP impurity C((R) isomer)(R)-9-Hydroxy Risperidone ((R)-Paliperidone)(R)-9-Hydroxy Risperidone-d4 ((R)-Paliperidone-d4))
(R)-3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-, (9R)-CAS-144598-75-49-(R)-PaliperidoneC23H27FN4O39R-PaliperidoneNCGC00183874-01Paliperidone (Invega)
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 82.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 4
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 764
実験および物理化学的性質
Drugs
Pharmaceuticals -> Antipsychotics
Pharmaceuticals -> Antipsychotics
Pharmaceuticals -> Listed in ZINC15
Human DrugsPharmaceuticals
物理化学的性質
- 沸点
- 612.32 · 612.320±65.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 1.45 · 1.450±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 溶解性
- Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
- 外見
- Solid
- 酸解離定数(Pka)
- 13.002 · 13.002±0.60(predicted)
- 色
- White to Off-White
化学と産業
薬理情報
ATC CodeN05AX13
用途と製造
Use ClassificationPharmaceuticals
応用分野
使用The R-enantiomer metabolite of Risperidone (R525000), a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist.
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