AG001EL3

147098-20-2 | 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)-

AG001EL3

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CAS Number	147098-20-2
Catalog Number	AG001EL3(AGN-PC-0PZTVC)
Chemical Name	6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)-
IUPAC Name	calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
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
InChI Key	LALFOYNTGMUKGG-BGRFNVSISA-L
MDL Number	MFCD04112702
Molecular Formula	C44H54CaF2N6O12S2
Molecular Weight	1001.1374
SMILES	O[C@H](C[C@H](CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C.O[C@H](C[C@H](CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C.[Ca+2]
UNII	83MVU38M7Q
Synonyms	Calcium, Rosuvastatin, Crestor, rosuvastatin, rosuvastatin calcium, ZD 4522, ZD4522, Rosuvastatin calcium, Crestor, 147098-20-2, Rosuvastatin hemicalcium, Rosuvastatin Calcium Salt, ZD4522, ZD 4522, Rosuvastatin, ZD 4522, calcium salt, UNII-83MVU38M7Q, Rosuvastatin calcium [USAN], S 4522, S-4522, 83MVU38M7Q, CHEBI:77249, Crestor (TN), ZD-4522, calcium (3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate, Rovista, Provisacor, (S-(R*,S*-(E)))-7-(4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E), 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)-, Fortius, Shufutan, Rostar, ZD 4522 Calcium Salt, ZD4522 (calcium salt), AC1NR03S, Rosuvastatin-calcium(Crestor), ZD-4522 (Calcium salt), SCHEMBL150740, SCHEMBL429217, 2C22H27FN3O6S.Ca, CHEMBL1744447, LALFOYNTGMUKGG-BGRFNVSISA-L, Rosuvastatin calcium (JAN/USAN), AZD-4522, BCP04131, calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate, 2695AH, AKOS005145896, AKOS017343682, AN-5353, KS-1109, AS-12488, LS-181805, ST2413786, TL8006179, R0180, D01915, I06-044, Q-201685, (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic Acid Calcium Salt, (S-((R*,S*-(E)))- 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl) amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), (S-((R*,S*-(E)))- 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl) amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), bis[(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino] pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhelpt-6-enoic acid] calcium salt, calcium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate, calcium (E,3R,5S)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoate, calcium bis[(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate], Rosuvastatincalcium, Calcium, Rosuvastatin, C22H28FN3O6S.1/2Ca, Rosuvastatin calcium, 99% - 1G 1g, ACN-037210, CID5282455, CS-O-02229, C22-H28-F-N3-O6-S.1/2Ca, A10810, C422923, D000068718, 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E), calcium (3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethan-3-ylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate,

Complexity	761
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	2
Exact Mass	1000.284g/mol
Formal Charge	0
Heavy Atom Count	67
Hydrogen Bond Acceptor Count	20
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	1001.141g/mol
Monoisotopic Mass	1000.284g/mol
Rotatable Bond Count	18
Topological Polar Surface Area	304A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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