기본 정보
- 표준 SMILES
COC(=O)c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C- InChIKey
BYVHIGJQQZGFPU-UHFFFAOYSA-N- 분자식
- C17H20FN3O4S
- 평균 분자량
- 381.4 g/mol
- 단동위원소 질량
- 381.11585534
이름 및 식별자
- 우선 이름
- Methyl 4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinecarboxylate
- IUPAC
- methyl 4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylate
- 영어명
- Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-carboxylate
- 분자식
- C17H20FN3O4S
- 분자량
- 381.42
이름 및 동의어
Methyl 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinecarboxylateMethyl 4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinecarboxylateRefChem:815946289042-11-1Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidine-5-carboxylatemethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidine-5-carboxylate5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, methyl esterRosuvastatin Impurity 68MFCD08235142methyl 4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylatemethyl 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylateMethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonyl)amino] pyrimidine-5-carboxylate
이름 더 보기
Z-6ZD-1AKOS 91016Methyl 4-(4-fluorophRosuvastatin Impurity 72Rosuvastatin Impurity Z-6rosuvastatin intermediates Z-6Rosuvastatin intermediate R-1-1Rosuvastatin Intermediate Impurity 1
Methyl 4-(4-Fluorophenyl)-6-isopropyl-2-[N-methyl-N-(methylsulfonyl)amino]pyrimidine-5-carboxylateC17H20FN3O4SMethyl 4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methanesulfonamido)pyrimidine-5-carboxylateRosuvastatin Impurity 259TN94U8GTDSCHEMBL1752130DTXSID90433000AC-448
데이터베이스 식별자
- CAS
289042-11-1- PubChem CID
- 9929821
- DTXSID
DTXSID90433000- UNII
- 9TN94U8GTD
- EC Number
- 608-290-6
- Nikkaji
- J1.836.215E
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 97.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 587
물리화학적 성질
- 녹는점
- 127 · 127-129°C
- 끓는 점
- 552 · 552.0±60.0 °C(Predicted)
- 밀도
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -1.85 · -1.85±0.10(Predicted)
- 색상
- 하얀색
안전 및 규제
GHS 분류
GHS Classification
Warning
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P273, P280, P318, P405, 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.
유해성 정보
Hazard Classes and CategoriesRepr. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H361
화학 및 산업
응용 분야
용도An intermediate of Rosuvastatin (R700500).
공급사50 곳
济南百隆化学有限公司[email protected] · [email protected]
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Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
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苏州美石生物科技有限公司1173954148q · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
艾吉析科技(上海)有限公司17721401538;17717235263 17721401538 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
Anhuyan (Hainan) Biotechnology Co., LTD+86-18163349544 · [email protected]
湖北威德利化学试剂有限公司15871722230 · [email protected]
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