Rosuvastatin Lactone

HCID 29918986

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 503610-43-3
표준 SMILES: CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1
InChIKey: SOEGVMSNJOCVHT-VEUZHWNKSA-N
분자식: C22H26FN3O5S
평균 분자량: 463.5 g/mol
단동위원소 질량: 463.15772027

이름 및 식별자

우선 이름: Rosuvastatin Lactone
IUPAC: N-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
영어명: N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamide
분자식: C22H26FN3O5S
분자량: 463.52

이름 및 동의어

Rosuvastatin Lactone503610-43-3Rosuvastatin-5S-lactoneFL37W41F3TDTXSID901034473Methanesulfonamide, N-(4-(4-fluorophenyl)-6-(1-methylethyl)-5-((1E)-2-((2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethenyl)-2-pyrimidinyl)-N-methyl-RefChem:179941DTXCID401519038836-302-1Rosuvastatin EP Impurity DN-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamideent-Rosuvastatin Lactone

이름 더 보기

Rosuvastatin Impurity DRosuvastatin EP Imp DRsosuvastatin LactoneRosuvastatin calcium-5Rosuvastatin Lactone-d3Rosuvastatin-5R-lactoneRisuvastatin Impurity DRosuvastatin lactone, >=98%

N-(4-(4-fluorophenyl)-5-((E)-2-((2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)vinyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamideN-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamideN-[4-(4-fluorophenyl)-5-[(1E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamideN-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethenyl]-6-(1-methylethyl)pyrimidin-2-yl]-N-methylmethanesulfonamideN-[4-(4-Fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethenyl]-6-(1-methylethyl)pyrimidin-2-yl]-N-methylmethanesulfonamide (Rosuvastatin Lactone)N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamide615263-62-2UNII-FL37W41F3T

데이터베이스 식별자

CAS: 503610-43-3
PubChem CID: 29918986
DTXSID: DTXSID901034473
ChEBI: CHEBI:184522
UNII: FL37W41F3T
EC Number: 836-302-1
Nikkaji: J2.810.552E

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 118 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 9
회전 가능 결합 수: 6
무거운 원자 수: 32
형식 전하: 0
복잡도: 779

물리화학적 성질

녹는점: 131 °C · 131 °C
끓는 점: 695 · 695.0±65.0 °C(Predicted)
밀도: 1.387 · 1.387
저장 조건: -20 °C · -20°C Freezer
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 13.22 · 13.22±0.40(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
주요 응용: 제약
InChIKey: SOEGVMSNJOCVHT-VEUZHWNKSA-N
SMILES: Fc1ccc(cc1)c2nc(nc(c2\C=C\[C@H]3OC(=O)C[C@@H](C3)O)C(C)C)N([S](=O)(=O)C)C

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (50%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)；STOT RE 2 (50%)

안전 데이터

wgk: WGK 3
Hazard Classifications: STOT RE 2 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsKidney；Liver

Cellular LocationsCytoplasm；Membrane

응용 분야

용도An isomer of Rosuvastatin Lactone (R700500); intermediate in the production of Rosuvastatin (R700500) derivatives.

공급사100 곳

上海策嵘生物科技有限公司[email protected]

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]

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]

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