Account Simvastatin acid calcium xhydrate
- Catalog No. :
- ACJHIU993
- CAS No. :
- 530112-57-3
- Molecular Formula :
- C50H80CaO13
- Molecular Weight :
- 929.26
IUPAC Name: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 hydrate
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Product Information
| Product Name | Simvastatin acid calcium xhydrate |
|---|---|
| IUPAC Name | 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 hydrate |
| Molecular Formula | C50H80CaO13 |
| Molecular Weight | 929.26 |
| SMILES | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.O.[Ca+2] |
| InChI Key | UWQAJRGSDMOMIS-ATQZEWQKSA-L |
| Synonym | TENIVASTATIN 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;Tenivastatin Calcium (Calcium (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimeth (1612719);Simvastatin acid calcium hydrate;Tenivastatin impurity 1 |
| CAS No. | 530112-57-3 |
Synthetic Route by SureRoute
2. ACJHIU993 Molecular Building Block Synthetic Route
Sodium (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
Ammonium (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
(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