Rosuvastatin calcium

CAT: 1568-C16677-01Size: 100 mgDry Ice: YesHazardous: No

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CAT#:1568-C16677-01Size:100 mg

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CAS Number

147098-20-2

Synonyms

ZD4522 calcium

SKU

C16677-100mg

Target

HMG-CoA Reductase

Applications

Metabolism

Smiles

CC (C) C1=NC (=NC (=C1C=CC (CC (CC (=O) [O-]) O) O) C2=CC=C (C=C2) F) N (C) S (=O) (=O) C.CC (C) C1=NC (=NC (=C1C=CC (CC (CC (=O) [O-]) O) O) C2=CC=C (C=C2) F) N (C) S (=O) (=O) C.[Ca+2]

Molecular Formula

C44H56CaF2N6O12S2

Additionnal Information

Rosuvastatin calcium is a competitive inhibitor of HMG-CoA reductase with IC50 of 11 nM in a cell-free assay.

Storage Conditions

2 years -80 in solvent

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 Number	147098-20-2
PubChem CID	5282455
IUPAC Name	calcium bis((E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate)
Molecular Formula	C44H54CaF2N6O12S2
Molecular Weight	1001.1
Topological Polar Surface Area	304
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	18
Heavy Atom Count	67
Formal Charge	0
Complexity	761

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

CAS: 147098-20-2

CID: 5282455

Formula: C44H54CaF2N6O12S2

MW: 1001.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1001.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	18
Exact Mass	1000.2835107
Monoisotopic Mass	1000.2835107
Topological Polar Surface Area	304 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	761
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Catalog	Name
HY-17504-01	Rosuvastatin (Calcium)
R8310-01	Rosuvastatin Calcium
RM-R192200-01	Rosuvastatin Calcium Salt
A10810-100	Rosuvastatin calcium 100mg
bs-75609C-01	Rosuvastatin . calcium salt
HY-17504S	Rosuvastatin-d6 (calcium)

Rosuvastatin calcium

Chemical Information

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