CAS 355806-00-7 1,1-Dimethylethyl (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoate (HCID 11478210)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 355806-00-7
표준 SMILES: CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C
InChIKey: IJHZGLLGELSZAF-OKLSWEBGSA-N
분자식: C26H36FN3O6S
평균 분자량: 537.6 g/mol
단동위원소 질량: 537.23088509

개요

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이름 및 식별자

우선 이름: 1,1-Dimethylethyl (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoate
IUPAC: tert-butyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
현지명: tert-부틸로수바스타틴
영어명: tert-Butyl rosuvastatin
분자식: C26H36FN3O6S
분자량: 537.64

이름 및 동의어

1,1-Dimethylethyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoate1,1-Dimethylethyl (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoateRefChem:410006tert-Butyl rosuvastatin355806-00-7ent-Rosuvastatin tert-Butyl EsterRosuvastatin tert-Butyl Ester615263-60-0(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl) methylamino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid tert-butyl esterMFCD08460212C26H36FN3O6SRosuvastatin Acid T-Butyl Ester

이름 더 보기

tert-부틸로수바스타틴Rosuvastatin t-Butyl Ester(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl)methylamino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid tert-butyl estertert-Butyl (6E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoate

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 138 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 10
회전 가능 결합 수: 12
무거운 원자 수: 37
형식 전하: 0
복잡도: 865

물리화학적 성질

녹는점: 136 · 136-138oC
끓는 점: 704.2 · 704.2±70.0 °C(Predicted)
밀도: 1.259 · 1.259
저장 조건: Sealed in dry,Room Temperature
용해도: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly, Heated)
물리적 상태: 고체
산도 계수 (pKa): 13.38 · 13.38±0.20(Predicted)
색상: 흰색에서 황백색까지
안정성: 흡습성
InChIKey: IJHZGLLGELSZAF-OKLSWEBGSA-N
SMILES: C(OC(C)(C)C)(=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

안전 및 규제

안전 데이터

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

화학 및 산업

응용 분야

용도Rosuvastatin tert-Butyl Ester, is a metabolite of Rosuvastatin (R700500) a selective, competitive HMG-CoA reductase inhibitor.

상·하류 제품 정보

상류 원료

1,3-Dioxane-4-acetic acid, 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2-phenyl-, 1,1-dimethylethyl ester, (4R,6S)-tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate

공급사100 곳

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

成都彼样生物科技有限公司18108052721 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

화합물 노트

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tert-부틸로수바스타틴