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Rosuvastatin Isopentyl Ester

CAT: 1596-AR-C02025-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02025-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1197348-98-3
Synonyms
Rosuvastatin Isoamy Ester; (3R,5S,6E) -7-[4- (4-Fluorophenyl) -6- (1-methylethyl) -2-[methyl (methylsulfonyl) amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic Acid 3-Methylbutyl Ester
Molecular Formula
C27H38FN3O6S
Molecular Weight
551.67
API Name
Rosuvastatin

Chemical Information

Rosuvastatin Isoamyl Ester
CAS Number1197348-98-3
PubChem CID68339331
IUPAC Name3-methylbutyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
Molecular FormulaC27H38FN3O6S
Molecular Weight551.7
XLogP3.7
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count38
Formal Charge0
Complexity857
SMILES
CC(C)CCOC(=O)C[C@@H](C[C@@H](/C=C/C1=C(N=C(N=C1C(C)C)N(C)S(=O)(=O)C)C2=CC=C(C=C2)F)O)O
InChI
InChI=1S/C27H38FN3O6S/c1-17(2)13-14-37-24(34)16-22(33)15-21(32)11-12-23-25(18(3)4)29-27(31(5)38(6,35)36)30-26(23)19-7-9-20(28)10-8-19/h7-12,17-18,21-22,32-33H,13-16H2,1-6H3/b12-11+/t21-,22-/m1/s1
InChIKey
OEDAIKXIOPRNBH-CXYUPCIPSA-N
Chemical Structure
2D Structure
2D structure of Rosuvastatin Isoamyl Ester
CAS: 1197348-98-3
CID: 68339331
Formula: C27H38FN3O6S
MW: 551.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.7
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass551.24653528
Monoisotopic Mass551.24653528
Topological Polar Surface Area138 Ų
Heavy Atom Count38
Formal Charge0
Complexity857
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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