Simvastatin acid (calcium hydrate)

cas: 530112-57-3 — see every product listed under this CAS number, including other names

Simvastatin acid (calcium hydrate) (CAS 530112-57-3) is a chemical reagent available from Chemat. Available pack sizes: 5 mg, 1 mg. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-119695B-5 mg
cas530112-57-3
size5 mg
availability In stock
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Available pack sizes

brand size price
MedChemExpress 5 mg 1657.16 Pln
MedChemExpress 1 mg 876.97 Pln

properties

delivery time 2-3 weeks
purityno data
Structural formula: {0} (CAS {1})

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 (CAS 530112-57-3) is a chemical compound with the molecular formula C50H84CaO15 and a molecular weight of 965.3 g/mol. IUPAC name: 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. InChIKey: ZZURQDTUMWWURH-XVIDMKIDSA-L.

Identity
Molecular formulaC50H84CaO15
Molecular weight965.3 g/mol
IUPAC namecalcium;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
InChIKeyZZURQDTUMWWURH-XVIDMKIDSA-L
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]

Computed by PubChem (NCBI)

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