Products for Research Use Only
RegisterLogin

Atorvastatin hemicalcium trihydrate

CAT: 0013-GTR19213020-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19213020-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Atorvastatin Hemicalcium Trihydrate is an orally active lipid-lowering agent that potently inhibits HMG-CoA reductase. It also suppresses the proliferation and invasion of human vascular smooth muscle cells (SV-SMC) in vitro, with IC50 values of 0.39 μM and 2.39 μM, respectively. This compound is widely used in cardiovascular disease research, including studies on atherosclerosis and restenosis in both cellular and animal models.
CAS Number
344920-08-7
Field of Research
Cell Biology, Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C (C1=C (C (C) C) N (CC[C@@H] (O) C[C@@H] (O) CC ([O-]) =O) C (C2=CC=C (C=C2) F) =C1C3=CC=CC=C3) NC4=CC=CC=C4.O=C (C5=C (C (C) C) N (CC[C@@H] (O) C[C@@H] (O) CC ([O-]) =O) C (C6=CC=C (C=C6) F) =C5C7=CC=CC=C7) NC8=CC=CC=C8.[Ca+2].O.O.O.O.O.O
Molecular Formula
C33H35FN2O5.1/2Ca.3H2O
Molecular Weight
632.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

calcium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);hexahydrate
CAS Number344920-08-7
PubChem CID168440556
IUPAC Namecalcium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);hexahydrate
Molecular FormulaC66H80CaF2N4O16
Molecular Weight1263.4
Topological Polar Surface Area235
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count22
Heavy Atom Count89
Formal Charge0
Complexity817
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.O.O.O.[Ca+2]
InChI
InChI=1S/2C33H35FN2O5.Ca.6H2O/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;;;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;6*1H2/q;;+2;;;;;;/p-2/t2*26-,27-;;;;;;;/m11......./s1
InChIKey
KQPCBHBPIZWHAS-NGUMWDRNSA-L
Chemical Structure
2D Structure
2D structure of calcium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);hexahydrate
CAS: 344920-08-7
CID: 168440556
Formula: C66H80CaF2N4O16
MW: 1263.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1263.4
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count22
Exact Mass1262.5163297
Monoisotopic Mass1262.5163297
Topological Polar Surface Area235 Ų
Heavy Atom Count89
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count9
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19163801-01Atorvastatin hemicalcium
GTR19171441-01Atorvastatin hemicalcium salt
GTR19229688-01O-Methyl Atorvastatin hemicalcium
GTR19208550-01Atorvastatin magnesium trihydrate
GTR19218025-01Bemfivastatin hemicalcium
GTR19187977Ketorolac hemicalcium
GTR19228463-01Proglumide hemicalcium
GTR19169050-01Sacubitril hemicalcium salt
GTR19219061-01Vitamin B15 hemicalcium
GTR19213712-01Atorvastatin

Alternative Products

CatalogName
T72101-01Atorvastatin hemicalcium trihydrate
HY-B0589E-01Atorvastatin (hemicalcium trihydrate)
MBS3601382-01Atorvastatin hemicalcium
T3116-01Atorvastatin hemicalcium salt
HY-B0589S-01Atorvastatin-d5 (hemicalcium)
HY-17379-01Atorvastatin (hemicalcium salt)
T12283-01O-Methyl Atorvastatin hemicalcium
HY-17379R-01Atorvastatin (hemicalcium salt) (Standard)
HY-137310-014-Hydroxy atorvastatin (hemicalcium)
317257Atorvastatin calcium trihydrate

Popular Products