Atorvastatin Acetonide tert-Butyl Ester（CAS番号：125971-95-1）

アトロスタチンアセトン酸 tert-ブチルエステル

基本情報

編集器で閲覧

CAS番号

125971-95-1

分子式

C40H47FN2O5

分子量

654.82 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

精密化学品特殊化学品紫外線安定剤

農業化学品農薬除草剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

融点

144-148 °C

沸点

678℃ at 760 mmHg

密度

1.15

引火点

363.863 °C

屈折率

1.589

比旋光度

6.5 º (c=1, chloroform)

SMILES

編集器で閲覧

CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1

InChIKey

NPPZOMYSGNZDKY-ROJLCIKYSA-N

LogP

9.369

トポロジカル極性表面積

78.79 Å²

水素結合ドナー/アクセプター

1 / 7

複雑度

1040

安全情報

安全情報を表示

危険性の表示

H315 皮膚刺激
皮膚腐食性/刺激性

H319 強い眼刺激
眼に対する重篤な損傷性/眼刺激性

H335 呼吸器への刺激のおそれ
特定標的臓器毒性（単回ばく露）；気道刺激性

同義語と引用データ

英語

B3690
CS-0112186
tert-Butyl (4R,6R)-2-[[[6-(2-4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
(4R-cis)-1,1-dimethylethyl 6-[2[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
(4r-cis)-1,1-Dimethylethyl-6-[2-(4-fluorophenyl)-5-(1-isopropyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
1,1-Dimethylethyl (4R-cis)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1-H-pyrrol-1-yl]ethyl]-2,2-di-methyl-1,3-dioxane-4-acetate
T70179
tert-Butyl (4R,6R)-2-[6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
EC 700-258-0
Atorvastatin Acetonide tert-Butyl Ester
(4R-cis)-1,1-dimethylethyl 6-[2[2-(4-fluoro-phenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)-carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
(4R,6R)-6-(2-(2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl ester
SCHEMBL583215
TERT-BUTYL ((4R,6R)-6-(2-(3-(ANILINOCARBONYL)-5-(4-FLUOROPHENYL)-2-ISOPROPYL-4-PHENYL-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE
tert-Butyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1-pyrrolyl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
TERT-BUTYL ((4R,6R)-6-(2-(3-(ANILINOCARBONYL)-5-(4-FLUOROPHENYL)-2-ISOPROPYL-4-PHENYL-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE, (+)-
DTXSID70436296
(4R-Cis)-1,1-dimethylethyl 6-[2[2-(4-fluoro-phenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino) -carbonyl]-1H-pyrrol-1-yl]ethyl]2,2-dimethyl-1,3-dioxane-4-acetate
1001659-85-3
C40H47FN2O5
J-005310
ATORVASTATIN CALCIUM IMPURITY I [EP IMPURITY]
(6-{2-[3-(4-Phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic acid,tert-butyl ester
AC-15555
tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
1,1-Dimethylethyl (4R-cis)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1-H-pyrrol-1-yl]ethyl]-2,2-di-methyl-1,3-dioxane-4-acetate; Atorvastatin Related Compound I; Atorvastatin Calcium Impurity I; Atorvastatin Impurity I
1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
MFCD04039904
t-Butyl(4R,6R)-2-[6-[2-[2-(4-F-Ph)-5-isoprop-3-Ph-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-di-Me-1,3-dioxan-4-yl]acetate;98%
tert-Butyl [(4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate
A805449