Rosuvastatin EP Impurity G

CAT: 1299-RM-R192208-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R192208-01Size:10 mg

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CAS Number

1242184-42-4

Synonyms

(3S,5R, E) -7- (4- (4-fluorophenyl) -6-isopropyl-2- (N-methylmethylsulfonamido) pyrimidin-5-yl) -3,5-dihydroxyhept-6-enoic acid

Molecular Formula

C22H28FN3O6S

Molecular Weight

481.54

Target Alternative Name

Rosuvastatin

Product Name Synonym

(3S,5R, E) -7- (4- (4-fluorophenyl) -6-isopropyl-2- (N-methylmethylsulfonamido) pyrimidin-5-yl) -3,5-dihydroxyhept-6-enoic acid

Chemical Information

(3S,5R,6E)-7-(4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid

CAS Number	1242184-42-4
PubChem CID	12136803
IUPAC Name	(E,3S,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
Molecular Formula	C22H28FN3O6S
Molecular Weight	481.5
XLogP	1.6
Topological Polar Surface Area	149
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	33
Formal Charge	0
Complexity	767

SMILES

CC(C)C1=NC(=NC(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

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-/m0/s1

InChIKey

BPRHUIZQVSMCRT-RJCHQFKYSA-N

Chemical Structure

2D Structure

CAS: 1242184-42-4

CID: 12136803

Formula: C22H28FN3O6S

MW: 481.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	481.5
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	481.16828496
Monoisotopic Mass	481.16828496
Topological Polar Surface Area	149 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	767
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Rosuvastatin EP Impurity G

Chemical Information

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