Tenivastatin Calcium Hydrate
Impurity
This molecule is a impurity of Simvastatin.
Technical Data
Cat. No.ANT-SMV-04
CAS530112-57-3
Mol. FormulaC50H80CaO13
Mol. Weight929.24 g/mol
IUPACcalcium;bis((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate);trihydrate
SMILESCCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.O.O.O.[Ca+2]
InChIInChI=1S/2C25H40O6.Ca.3H2O/c2*1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;;;;/h2*7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);;3*1H2/q;;+2;;;/p-2/t2*15-,16-,18+,19+,20-,21-,23-;;;;/m00..../s1
InChI KeyZZURQDTUMWWURH-XVIDMKIDSA-L
Description
Overview
Tenivastatin Calcium Hydrate, Simvastatin, 530112-57-3, calcium;bis((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate);trihydrate
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Synonyms
(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 Calcium Hydrate(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 Calcium Salt MonohydrateCalcium (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-dihydroxyheptanoate HydrateTenivastatin calcium hydrate530112-57-3UNII-QSL5L73L0OQSL5L73L0ODTXSID102010611-NAPHTHALENEHEPTANOIC ACID, 8-(2,2-DIMETHYL-1-OXOBUTOXY)-1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.-DIHYDROXY-2,6-DIMETHYL-, CALCIUM SALT, HYDRATE (2:1),(.BETA.R,.DELTA.R,1S,2S,6R,8S,8AR)-RefChem:187847










