CAS 158697-67-7 DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidone (HCID 29941101)

기본 정보

CAS: 158697-67-7
표준 SMILES: Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3F)CC1)CCCC2
InChIKey: VVQWCIXBRCHDBW-UHFFFAOYSA-N
분자식: C23H27F2N3O2
평균 분자량: 415.5 g/mol
단동위원소 질량: 415.20713354

이름 및 식별자

우선 이름: DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidone
IUPAC: 3-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
현지명: 2,4-디플루오로벤조일리스페리돈불순물
영어명: 2,4-Difluorobenzoyl Risperidone IMpurity
분자식: C23H27F2N3O2
분자량: 415.48

이름 및 동의어

158697-67-7Risperidone impurity H [EP]DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidoneUNII-9JFX9B33TN9JFX9B33TN3-[2-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one3-(2-(4-(2,4-Difluorobenzoyl)piperidin-1-yl)ethyl)-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-(2,4-difluorobenzoyl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-DTXSID40166497RISPERIDONE IMPURITY H [EP IMPURITY]RISPERIDONE IMPURITY H (EP IMPURITY)RISPERIDONE IMPURITY H

이름 더 보기

2,4-디플루오로벤조일리스페리돈불순물Risperidone EP Imp HRisperidone Impurity 1RISPERIDONE DIFLUOROKETONE3-[2-[4-(2,4-Difluorobenzoyl)piperiRisperidone Impurity 8(Risperidone EP Impurity H)Risperidone EP Impurity H (Risperidone Difluoroketone)3-[2-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrim

3-{2-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-oneRefChem:132097DTXCID30889882,4-Difluorobenzoyl Risperidone ImpurityRisperidone EP Impurity H3-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one3-[2-[4-(2,4-Difluorobenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one3-[2-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one; 3-[2-[4-(2,4-Difluorobenzoyl)piperidino]ethyl]-6,7,8,9-

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 53 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 30
형식 전하: 0
복잡도: 743

물리화학적 성질

녹는점: 466 · 466-467 °C
끓는 점: 543.6 · 543.6±60.0 °C(Predicted)
밀도: 1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 7.92 · 7.92±0.10(Predicted)
색상: 미색부터 페일 베이지까지
주요 응용: 소분자 약용

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

wgk: WGK 3
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도2,4-Difluorobenzoyl Risperidone Impurity (Risperidone EP Impurity H) is a Risperidone (R525000) impurity. Precursor to R525015.

공급사64 곳

济南百隆化学有限公司[email protected] · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

화합물 노트

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2,4-디플루오로벤조일리스페리돈불순물