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| CAS Number | 287714-41-4 |
| Catalog Number | AG002WF6(AGN-PC-0R4J7Z) |
| Chemical Name | Rosuvastatin |
| IUPAC Name | (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid |
| InChI | InChI=1S/C22H28FN3O6S/c1-13(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/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1 |
| InChI Key | BPRHUIZQVSMCRT-VEUZHWNKSA-N |
| MDL Number | MFCD18783208 |
| Molecular Formula | C22H28FN3O6S |
| Molecular Weight | 481.5376 |
| SMILES | FC1=CC=C(C=C1)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C(C)C)N(S(=O)(=O)C)C |
| UNII | 413KH5ZJ73 |
| Synonyms | Calcium, Rosuvastatin,
Crestor,
rosuvastatin,
rosuvastatin calcium,
ZD 4522,
ZD4522,
Rosuvastatin,
287714-41-4,
Rosuvastatin calcium,
UNII-413KH5ZJ73,
CHEMBL1496,
CHEBI:38545,
413KH5ZJ73,
ZD-4522,
(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid,
(3R,5S,E)-7-(4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid,
(E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhept-6-enoic acid,
Creston (TN),
(3R,5R)-Rosuvastatin,
Rosuvastatin (INN),
Rosuvastatin [INN:BAN],
C22H28FN3O6S,
Rosuvastatin-3H,
HSDB 7317,
(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid,
Spectrum5_001695,
AC1L9J7O,
SCHEMBL2520,
BSPBio_003429,
SCHEMBL154400,
SPECTRUM1505213,
GTPL2954,
DTXSID8048492,
BDBM18372,
CHEBI:93454,
BPRHUIZQVSMCRT-VEUZHWNKSA-N,
HMS1922N09,
1094100-06-7,
ZINC1535101,
CCG-40119,
HY-17504A,
MFCD18783208,
AKOS000280777,
AM84890,
CS-2112,
DB01098,
NCGC00178070-01,
(3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid,
(3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid,
(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid,
6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E),
AJ-26825,
AN-29122,
AS-12247,
SBI-0206727.P001,
LS-187345,
RT-017537,
A11122,
A24862,
D08492,
28050-EP2269990A1,
28050-EP2272841A1,
28050-EP2272842A1,
28050-EP2280006A1,
28050-EP2281813A1,
28050-EP2284158A1,
28050-EP2287165A2,
28050-EP2287166A2,
28050-EP2292620A2,
28050-EP2295406A1,
28050-EP2298731A1,
28050-EP2298742A1,
28050-EP2298745A1,
28050-EP2298772A1,
28050-EP2298776A1,
28050-EP2298779A1,
28050-EP2301923A1,
28050-EP2301931A1,
28050-EP2301936A1,
28050-EP2308839A1,
28050-EP2314588A1,
BRD-K82941592-001-01-3,
BRD-K82941592-238-02-9,
(3R,5S)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid,
(3R,5S)-trans-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid,
(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhept-6enoic acid,
(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoic acid,
(E,3R,5S)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid,
3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic Acid-3H,
6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (3R,5S,6E)-,
7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl-methylsulfonyl-amino)-pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid;Rosuvastatin;Rosuvastatin Acid,
E-(7-{2-(N-methyl-N-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl}-(3R,5S)-3,5-dihydroxy-hept-6-enoic acid],
E-7-[2-(N-methyl-N-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoic acid,
Crestor,
Provisacor,
Rosustatin,
Cirantan,
Cresadex,
Rosuvast,
Rovartal,
Simestat,
Astende,
Creston,
Rosedex,
Rosimol,
Rosumed,
Rosuvas,
Vivacor,
Rosvel,
Sinlip,
Razel,
Rosuvastatin-D3,
Rosuvastatin zinc,
Rosuvastatin [INN],
Crestor (TN),
Rosuvastatin hemicalcium,
Pyrimidine Compound, 26,
D0JE2E,
ZD 4522, calcium salt,
Rosuvastatin calcium [USAN],
ZD4522,
Rosuvastatin calcium (JAN/USAN),
AZD-4522,
ZD 4522,
CID446157,
C22-H28-F-N3-O6-S,
CS-O-05623,
2169A,
B1123,
S 4522,
S-4522,
(E,3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid,
(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),
6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (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),
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,
FBI,
ROS,
|
| Complexity | 767 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 481.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 481.539g/mol |
| Monoisotopic Mass | 481.168g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 149A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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