CAS 147118-40-9 Rosuvastatin methyl ester (HCID 25183331)

기본 정보

CAS: 147118-40-9
표준 SMILES: COC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C
InChIKey: SUTPUCLJAVPJRS-NDZBKKTDSA-N
분자식: C23H30FN3O6S
평균 분자량: 495.6 g/mol
단동위원소 질량: 495.1839349

이름 및 식별자

우선 이름: Rosuvastatin methyl ester
IUPAC: methyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
현지명: 로수바스타틴메틸에스테르
영어명: Rosuvastatin methyl ester
분자식: C23H30FN3O6S
분자량: 495.56

이름 및 동의어

Rosuvastatin methyl ester147118-40-9(+)-Rosuvastatin methyl esterUNII-2E76572CUD2E76572CUD6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-DTXSID90163597EC 604-568-66-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(n-methyl-n-methylsulfonyl-amino)-pyrimidin-5-yl)-3,5-dihydroxy-hept-6-enoic acid methly ester7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-(n-methyl-n-methylsulfonyl-amino)-pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid methly esterRefChem:179942

이름 더 보기

로수바스타틴메틸에스테르D36-DRosuvastatin methyl esteRosuvastatin Impurity 18Rosuvastatin Calcium InterROSUVASTATIN CALCIUM INTERMEDIATE (RJS3)2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate

물성

구조 계산 물성

XLogP: 2
극성 표면적: 138 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 10
회전 가능 결합 수: 11
무거운 원자 수: 34
형식 전하: 0
복잡도: 782

물리화학적 성질

녹는점: 75 · 75-77°C
끓는 점: 692.3 · 692.3±65.0 °C(Predicted)
밀도: 1.313 · 1.313±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 13.33 · 13.33±0.20(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChIKey: SUTPUCLJAVPJRS-NDZBKKTDSA-N
SMILES: C(OC)(=O)C[C@H](O)C[C@H](O)/C=C/C1=C(C(C)C)N=C(N(C)S(C)(=O)=O)N=C1C1=CC=C(F)C=C1

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (3 of 6) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 17-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21916

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도Rosuvastatin Methyl Ester is an impurity of Rosuvastatin (R700500) in the pharmaceutical dosage forms under forced degradation conditions.

공급사100 곳

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

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

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [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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