Chem
J-GLOBAL ID:200907096264295235
Nikkaji number:J996.541F
p-Hydroxyatorvastatin
p-ヒドロキシアトルバスタチン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C33 H35 FN2 O6
Molecular formula furigana:
C33-H35-F-N2-O6
Molecular weight:
574.649
InChI:
InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t26-,27-/m1/s1
InChI key:
SOZOATLLFFVAPM-KAYWLYCHSA-N
SMILES:
CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(c(c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O)c1ccccc1
Systematic name (6):
(βR,δR)-β,δ-ジヒドロキシ-2-(4-フルオロフェニル)-3-フェニル-4-[(4-ヒドロキシフェニル)カルバモイル]-5-イソプロピル-1H-ピロール-1-ヘプタン酸
(3R,5R)-3,5-ジヒドロキシ-7-[2-(1-メチルエチル)-3-[(4-ヒドロキシフェニルアミノ)カルボニル]-4-フェニル-5-(4-フルオロフェニル)-1H-ピロール-1-イル]ヘプタン酸
(βR,δR)-2-(4-フルオロフェニル)-4-[[(4-ヒドロキシフェニル)アミノ]カルボニル]-5-(1-メチルエチル)-3-フェニル-β,δ-ジヒドロキシ-1H-ピロール-1-ヘプタン酸
(3R,5R)-3,5-ジヒドロキシ-7-[2-(4-フルオロフェニル)-3-フェニル-4-[(4-ヒドロキシフェニル)カルバモイル]-5-イソプロピル-1-ピロリル]ヘプタン酸
(3R,5R)-7-[2-(4-フルオロフェニル)-4-[(4-ヒドロキシフェニル)カルバモイル]-3-フェニル-5-(プロパン-2-イル)-1H-ピロール-1-イル]-3,5-ジヒドロキシヘプタン酸
(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
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Other name (6):
(βR,δR)-β,δ-Dihydroxy-2-(4-fluorophenyl)-3-phenyl-4-[(4-hydroxyphenyl)carbamoyl]-5-isopropyl-1H-pyrrole-1-heptanoic acid
(3R,5R)-3,5-Dihydroxy-7-[2-(1-methylethyl)-3-[(4-hydroxyphenylamino)carbonyl]-4-phenyl-5-(4-fluorophenyl)-1H-pyrrole-1-yl]heptanoic acid
p-ヒドロキシアトルバスタチン
p-Hydroxyatorvastatin
(βR,δR)-2-(4-Fluorophenyl)-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-β,δ-dihydroxy-1H-pyrrole-1-heptanoic acid
(3R,5R)-3,5-Dihydroxy-7-[2-(4-fluorophenyl)-3-phenyl-4-[(4-hydroxyphenyl)carbamoyl]-5-isopropyl-1-pyrrolyl]heptanoic acid
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CAS registry number:
214217-88-6
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