기본 정보
- CAS
130049-85-3- 표준 SMILES
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O- InChIKey
PMXMIIMHBWHSKN-LJQANCHMSA-N- 분자식
- C23H27FN4O3
- 평균 분자량
- 426.5 g/mol
- 단동위원소 질량
- 426.2067189
개요
(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.
이름 및 식별자
- 우선 이름
- (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
- 현지명
- (R)-9-하이드록시리스페리돈
- 영어명
- (R)-9-Hydroxy Risperidone
- 분자식
- C23H27FN4O3
- 분자량
- 426.48
이름 및 동의어
(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
이름 더 보기
(R)-9-하이드록시리스페리돈(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)
데이터베이스 식별자
- CAS
130049-85-3- PubChem CID
- 9802545
- DTXSID
DTXSID60861376- ChEBI
CHEBI:83806- UNII
- 29F930S8Z1
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 82.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 764
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Antipsychotics
Pharmaceuticals -> Antipsychotics
Pharmaceuticals -> Listed in ZINC15
Human DrugsPharmaceuticals
물리화학적 성질
- 끓는 점
- 612.32 · 612.320±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.45 · 1.450±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 용해도
- 클로로포름(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.002 · 13.002±0.60(predicted)
- 색상
- 흰색에서 황백색까지
화학 및 산업
약리 정보
ATC CodeN05AX13
용도 및 제조
Use ClassificationPharmaceuticals
응용 분야
용도The R-enantiomer metabolite of Risperidone (R525000), a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist.
공급사35 곳
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