API reference
Atorvastatin calcium trihydrate
- CAS number
- 344423-98-9
- Molecular formula
- C66H74CaF2N4O13
- Molecular weight
- 1,209.4 g/mol
About this molecule
Atorvastatin (Lipitor) is a member of the drug class known as statins. It is used for lowering cholesterol. Atorvastatin is a competitive inhibitor of hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase, the rate-determining enzyme in cholesterol biosynthesis via the mevalonate pathway. HMG-CoA reductase catalyzes the conversion of HMG-CoA to mevalonate. Atorvastatin acts primarily in the liver. Decreased hepatic cholesterol levels increases hepatic uptake of cholesterol and reduces plasma cholesterol levels.
Source: Toxin and Toxin Target Database (T3DB), via PubChem.
Identifiers
- IUPAC name
- calcium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);trihydrate
- InChIKey
- SHZPNDRIDUBNMH-NIJVSVLQSA-L
- SMILES
- CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.O.O.O.[Ca+2]
- Other CAS numbers recorded
- 344920-08-7
- PubChem CID
- 656846
Also known as
atorvastatin calcium trihydrate · Atorvastatin hemicalcium trihydrate · Totalip · Torvast · Atorvastatin calcium hydrate · ATORVALIQ · atorvastatin film coated · atorvastatin calcium, coated
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