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Tenivastatin Calcium Hydrate

Product Specifications

Synonyms

Tenivastatin calcium; Tenivastatin calcium monohydrate; Calcium (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 (1:2) monohydrate

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

Smiles

CCC(C)(C)C(O[C@@H]1[C@@]2([H])C(C=C[C@@H]([C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)C)=C[C@@H](C1)C)=O.CCC(C)(C)C(O[C@@H]3[C@@]4([H])C(C=C[C@@H]([C@@H]4CC[C@@H](O)C[C@@H](O)CC([O-])=O)C)=C[C@@H](C3)C)=O.[Ca+2].O

Molecular Formula

C25 H39 O6 . 1/2 Ca . x H2 O

InChI

InChI=1S/C25H40O6.Ca.H2O/c1-6-25(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;;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);;1H2/t15-,16-,18+,19+,20-,21-,23-;;/m0../s1

Additionnal Information

IUPAC name: calcium;(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;hydrate