Chem
J-GLOBAL ID:200907047238990943
Nikkaji number:J301.871G
(2R,4S)-Ketoconazole
(2R,4S)-ケトコナゾール
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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:
C26 H28 Cl2 N4 O4
Molecular formula furigana:
C26-H28-CL2-N4-O4
Molecular weight:
531.430
InChI:
InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
InChI key:
XMAYWYJOQHXEEK-OZXSUGGESA-N
SMILES:
CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Systematic name (6):
1-アセチル-4-[4-[[(2R)-2α-(2,4-ジクロロフェニル)-2-(1H-イミダゾール-1-イルメチル)-1,3-ジオキソラン]-4β-イルメトキシ]フェニル]ピペラジン
1-アセチル-4-[4-[[2-(2,4-ジクロロフェニル)-2β-(1H-イミダゾール-1-イルメチル)-1,3-ジオキソラン-4β-イル]メトキシ]フェニル]ピペラジン
1-アセチル-4-[4-[[(2R,4S)-2-(2,4-ジクロロフェニル)-2-(1H-イミダゾール-1-イルメチル)-1,3-ジオキソラン-4-イル]メトキシ]フェニル]ピペラジン
2-(2,4-ジクロロフェニル)-2β-[(1H-イミダゾール-1-イル)メチル]-4β-[[4-(4-アセチルピペラジン-1-イル)フェノキシ]メチル]-1,3-ジオキソラン
1-[4-(4-{[(2R,4S)-2-(2,4-ジクロロフェニル)-2-[(1H-イミダゾール-1-イル)メチル]-1,3-ジオキソラン-4-イル]メトキシ}フェニル)ピペラジン-1-イル]エタン-1-オン
1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one
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Other name (5):
1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2β-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4β-yl]methoxy]phenyl]piperazine
1-Acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolane-4-yl]methoxy]phenyl]piperazine
(2R,4S)-ケトコナゾール
(2R,4S)-Ketoconazole
2-(2,4-Dichlorophenyl)-2β-[(1H-imidazole-1-yl)methyl]-4β-[[4-(4-acetylpiperazine-1-yl)phenoxy]methyl]-1,3-dioxolane
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