Atorvastatin Diketo Amide Impurity

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CAT#:1596-AR-A02845-01Size:10 Units

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CAS Number

125971-96-2

Synonyms

2- (2- (4-fluorophenyl) -2-oxo-1-phenylethyl) -4-methyl-3-oxo-N-phenylpentanamide

Molecular Formula

C26H24FNO3

Molecular Weight

417.48

API Name

Atorvastatin

Chemical Information

4-(4-Fluorophenyl)-2-(2-methyl-1-oxopropyl)-4-oxo-3,N-diphenylbutanamide

CAS Number	125971-96-2
PubChem CID	9909872
IUPAC Name	2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide
Molecular Formula	C26H24FNO3
Molecular Weight	417.5
XLogP	5.7
Topological Polar Surface Area	63.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	614

SMILES

CC(C)C(=O)C(C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C26H24FNO3/c1-17(2)24(29)23(26(31)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(30)19-13-15-20(27)16-14-19/h3-17,22-23H,1-2H3,(H,28,31)

InChIKey

SNPBHOICIJUUFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 125971-96-2

CID: 9909872

Formula: C26H24FNO3

MW: 417.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	417.5
XLogP3	5.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	417.17402179
Monoisotopic Mass	417.17402179
Topological Polar Surface Area	63.2 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	614
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A02789-01	Dihydroxy Diketo Atorvastatin Impurity
AR-A07350-01	Atorvastatin Diketo Amide 2-Fluoro Analog
AR-A02798-01	Atorvastatin EP Impurity F (Amide Impurity) Sodium Salt
AR-V01421-01	Vildagliptin Diketo Impurity
AR-V07119-01	Vildagliptin Dehydro diketo impurity
AR-A02577-01	Diketo aldehyde impurity of dihydroartemisinin
AR-A07320-01	(3R,5R) -Atorvastatin Amide
AR-A02846-01	Atorvastatin Impurity 30
AR-A02830-01	Atorvastatin Impurity 16
AR-A02813-01	Atorvastatin Impurity 9

Catalog	Name
D452740	Dihydroxy Diketo Atorvastatin Impurity
RM-A202248-01	Atorvastatin Impurity ⅴ
RM-A202247-01	Atorvastatin Impurity ⅳ
RM-A202242-01	Atorvastatin Impurity ⅰ
RM-A202243-01	Atorvastatin Impurity ⅱ
RM-A202244-01	Atorvastatin Impurity ⅲ
RM-A202249-01	Atorvastatin Impurity ⅵ
TRC-A791665-100MG	(3R,5R)-Atorvastatin Amide
RM-A202263-01	Atorvastatin Impurity 13 (Atorvastatin Cyclic (Isopropyl) Impurity)
CS-O-60520	Vildagliptin Dehydro diketo impurity