Rosuvastatin Impurity 120

CAT: 1299-RM-R192320-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R192320-01Size:10 mg

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CAS Number

799842-06-1

Synonyms

Methyl 4- (4-fluorophenyl) -6-isopropyl-2- (methylsulfonyl) pyrimidine-5-carboxylate

Molecular Formula

C16H17FN2O4S

Molecular Weight

352.38

Target Alternative Name

Rosuvastatin

Product Name Synonym

Methyl 4- (4-fluorophenyl) -6-isopropyl-2- (methylsulfonyl) pyrimidine-5-carboxylate

Chemical Information

Methyl 4-(4-fluorophenyl)-2-(methanesulfonyl)-6-(propan-2-yl)pyrimidine-5-carboxylate

CAS Number	799842-06-1
PubChem CID	24865513
IUPAC Name	methyl 4-(4-fluorophenyl)-2-methylsulfonyl-6-propan-2-ylpyrimidine-5-carboxylate
Molecular Formula	C16H17FN2O4S
Molecular Weight	352.4
XLogP	2.6
Topological Polar Surface Area	94.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	541

SMILES

CC(C)C1=NC(=NC(=C1C(=O)OC)C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C16H17FN2O4S/c1-9(2)13-12(15(20)23-3)14(10-5-7-11(17)8-6-10)19-16(18-13)24(4,21)22/h5-9H,1-4H3

InChIKey

YEMPJZCYHYWHGT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 799842-06-1

CID: 24865513

Formula: C16H17FN2O4S

MW: 352.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.4
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	352.08930636
Monoisotopic Mass	352.08930636
Topological Polar Surface Area	94.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	541
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-R192296-01	Rosuvastatin Impurity 8 (Rosuvastatin EP Impurity N Mix Rosuvastatin EP Impurity K)
RM-R192274-01	Rosuvastatin Impurity 74 (Rosuvastatin D-5 Enatiomer Impurity)
RM-R192312-01	Rosuvastatin Impurity 112
RM-R192309-01	Rosuvastatin Impurity 109
RM-R192377-01	Rosuvastatin Impurity 177
RM-R192372-01	Rosuvastatin Impurity 172
RM-R192303-01	Rosuvastatin Impurity 103
RM-R192300-01	Rosuvastatin Impurity 100
RM-R192414-01	Rosuvastatin Impurity 214
RM-R192411-01	Rosuvastatin Impurity 211