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Rosuvastatin . calcium salt

CAT: 0498-bs-75609C-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75609C-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147098-20-2
Conjugation
Unconjugated
Purity
>98% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO (20mg/ml) or DMF (20mg/ml) .
Smiles
CN(S(C)(=O)=O)C1=NC(C2=CC=C(F)C=C2)=C(/C=C/[C@H](C[C@@H](O)CC([O-])=O)O)C(C(C)C)=N1.[Ca+2]
Molecular Formula
C22H27FN3O6S . 1/2Ca
Molecular Weight
480.6 . 20.0
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
White to off-white solid.

Chemical Information

Rosuvastatin Calcium

Rosuvastatin calcium is an organic calcium salt that is the hemicalcium salt of rosuvastatin. It has a role as a CETP inhibitor, an anti-inflammatory agent and a cardioprotective agent. It is an organic calcium salt and a N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine. It contains a rosuvastatin(1-).

CAS Number147098-20-2
PubChem CID5282455
IUPAC Namecalcium bis((E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate)
Molecular FormulaC44H54CaF2N6O12S2
Molecular Weight1001.1
Topological Polar Surface Area304
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count18
Heavy Atom Count67
Formal Charge0
Complexity761
SMILES
CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.[Ca+2]
InChI
InChI=1S/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+;/t2*16-,17-;/m11./s1
InChIKey
LALFOYNTGMUKGG-BGRFNVSISA-L
Chemical Structure
2D Structure
2D structure of Rosuvastatin Calcium
CAS: 147098-20-2
CID: 5282455
Formula: C44H54CaF2N6O12S2
MW: 1001.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1001.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count18
Exact Mass1000.2835107
Monoisotopic Mass1000.2835107
Topological Polar Surface Area304 Ų
Heavy Atom Count67
Formal Charge0
Complexity761
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

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TRC-R700500-100MGRosuvastatin Calcium Salt
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