ent-로수바스타틴tert-부틸에스테르
Rosuvastatin Impurity 56
기본 정보
- CAS
615263-60-0- 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-DSJWGCTQSA-N- 분자식
- C26H36FN3O6S
- 평균 분자량
- 537.6 g/mol
- 단동위원소 질량
- 537.23088521
이름 및 식별자
- 우선 이름
- Rosuvastatin Impurity 56
- IUPAC
- tert-butyl (E,3S,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
- 현지명
- ent-로수바스타틴tert-부틸에스테르
- 영어명
- ent-Rosuvastatin tert-Butyl Ester
- 분자식
- C26H36FN3O6S
- 분자량
- 537.65
이름 및 동의어
Rosuvastatin Impurity 56orb3214145SCHEMBL28595344DTXSID60858382(3S,5R,E)-tert-butyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoateCS-0165280(3S,5R,E)-tert-butyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate? (Rosuvastatin Impurity pound(c)6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3R,5S,6E)-rel-; ent-Rosuvastatin tert-Butyl Ester; (3SR,5RS,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid tert-butyl estertert-Butyl (3S,5R,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoatetert-Butyl (3S,5R,6E)-7-[4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoatetert-butyl (E,3S,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoateent-로수바스타틴tert-부틸에스테르
이름 더 보기
Rosuvastatin Impurity 242ent-Rosuvastatin tert-Butyl EsterRosuvastatin EP Impurity G t-Butyl EsterRosuvastatin (3S,5R)-Isomer t-Butyl EsterRosuvastatin EP Impurity G t-Butyl Ester (Rosuvastatin (3S,5R)-Isomer t-Butyl Ester)
데이터베이스 식별자
- CAS
615263-60-0- PubChem CID
- 71752113
- DTXSID
DTXSID60858382
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 138 Ų
- 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
- 134 · 134-136oC
- 끓는 점
- 704.158 · 704.158±70.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.26 · 1.260±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- -20 °C · -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.384 · 13.384±0.20(predicted)
- 색상
- 하얀색
화학 및 산업
응용 분야
용도ent-Rosuvastatin tert-Butyl Ester (Rosuvastatin EP Impurity G T-Butyl Ester) is a protected enantiomer of Rosuvastatin (R700500).
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