CAS 503610-43-3 Rosuvastatin Lactone (HCID 29918986)

基本情報

CAS: 503610-43-3
標準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
分子式: C22H26FN3O5S
平均分子量: 463.5 g/mol
単同位体質量: 463.15772027

名称と識別子

優先名称: 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
現地名: ロスバスタチンラクトン
英語名: 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
分子式: C22H26FN3O5S
分子量: 463.52

名称と別名

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

名称をさらに表示

ロスバスタチンラクトン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

物性

構造計算による物性

XLogP: 2.4
極性表面積: 118 Å²
水素結合供与体数: 1
水素結合受容体数: 9
回転可能結合数: 6
重原子数: 32
形式電荷: 0
複雑度: 779

物理化学的性質

融点: 131 °C · 131 °C
沸点: 695 · 695.0±65.0 °C(Predicted)
比重(密度): 1.387 · 1.387
貯蔵温度: -20 °C · -20°C Freezer
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 13.22 · 13.22±0.40(Predicted)
外見: 個体
色: ホワイトからオフホワイト
主な用途: 医薬品
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

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

wgk: WGK 3
Hazard Classifications: STOT RE 2 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Tissue LocationsKidney；Liver

Cellular LocationsCytoplasm；Membrane

応用分野

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

サプライヤー100 社

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]

化合物ノート

読み込み中…

ロスバスタチンラクトン