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CAS 139893-43-9
(betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid ammonium salt
Codes: (VI)122234-13-a, (V)122234-14-a, (I)122234-16-a
Application context (from source-drug indications)
DyslipidaemiaFenofibrate/SimvastatinHyperlipidaemiaFenofibrate/SimvastatinCardiac and vascular disordersFenofibrate/SimvastatinHypercholesterolaemiaFenofibrate/SimvastatinHyperlipidaemiaSimvastatinMyocardial infarctionSimvastatinDyslipidaemiaSimvastatinHeterozygous familial hypercholesterolaemiaSimvastatinStrokeSimvastatinHypercholesterolaemiaSimvastatin
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Fenofibrate/Simvastatin | Tier C — Watch / trade | - |
| Simvastatin | Tier C — Watch / trade | - |
Position in synthesis routes (up/downstream chain)
Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.
4(R)-Hydroxy-6(R)-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalenyl]ethyl]tetrahydropyran-2-one→Orthoformic acid trimethyl ester→(Diethoxymethoxy)ethane→Methyl [(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-methoxy-1,3-dioxan-4-yl]acetate→Ethyl [(4R,6R)-2-ethoxy-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-1,3-dioxan-4-yl]acetate→2,2-Dimethylbutanoyl chloride→(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-2-Methoxy-6-(2-methoxy-2-oxoethyl)-1,3-dioxan-4-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate→(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-2-Ethoxy-6-(2-ethoxy-2-oxoethyl)-1,3-dioxan-4-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate→(betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid ammonium salt
2,2-Dimethylbutanoyl chloride→S-(2-Hydroxyethyl) 2,2-dimethylbutanethioate→2-[(2,2-Dimethylbutanoyl)sulfanyl]ethyl acetate→3(R),5(R)-Dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid→(betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid ammonium salt
(betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid ammonium salt→(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-Dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
4(R)-Hydroxy-6(R)-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalenyl]ethyl]tetrahydropyran-2-one→Orthoformic acid trimethyl ester→(Diethoxymethoxy)ethane→Methyl [(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-methoxy-1,3-dioxan-4-yl]acetate→Ethyl [(4R,6R)-2-ethoxy-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-1,3-dioxan-4-yl]acetate→2,2-Dimethylbutanoyl chloride→(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-2-Methoxy-6-(2-methoxy-2-oxoethyl)-1,3-dioxan-4-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate→(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-2-Ethoxy-6-(2-ethoxy-2-oxoethyl)-1,3-dioxan-4-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate→(betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid ammonium salt
2,2-Dimethylbutanoyl chloride→S-(2-Hydroxyethyl) 2,2-dimethylbutanethioate→2-[(2,2-Dimethylbutanoyl)sulfanyl]ethyl acetate→3(R),5(R)-Dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid→(betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid ammonium salt
(betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid ammonium salt→(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-Dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
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