Pregabalin Dimer Impurity

CAT: 1596-AR-P29502-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P29502-06Size:250 Units

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CAS Number

2361911-35-3

Synonyms

(4S,4'S) -1,1'-methylenebis (4-isobutylpyrrolidin-2-one) ; (4S,4′S) -1,1′-methylenebis[4- (2-methylpropyl) -2-Pyrrolidinone

Molecular Formula

C17H30N2O2

Molecular Weight

294.44

API Name

Pregabalin

Chemical Information

(4S,4'S)-1,1'-Methylenebis(4-isobutylpyrrolidin-2-one)

CAS Number	2361911-35-3
PubChem CID	146964389
IUPAC Name	(4S)-4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one
Molecular Formula	C17H30N2O2
Molecular Weight	294.4
XLogP	2.6
Topological Polar Surface Area	40.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	356

SMILES

CC(C)C[C@H]1CC(=O)N(C1)CN2C[C@H](CC2=O)CC(C)C

InChI

InChI=1S/C17H30N2O2/c1-12(2)5-14-7-16(20)18(9-14)11-19-10-15(6-13(3)4)8-17(19)21/h12-15H,5-11H2,1-4H3/t14-,15-/m0/s1

InChIKey

ALFCHNUSYDZCPQ-GJZGRUSLSA-N

Chemical Structure

2D Structure

CAS: 2361911-35-3

CID: 146964389

Formula: C17H30N2O2

MW: 294.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.4
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	294.230728204
Monoisotopic Mass	294.230728204
Topological Polar Surface Area	40.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	356
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
AR-P33697-01	Pregabalin N-Nitroso Dimer Impurity
AR-P29912-01	Pregabalin Imine Dimer
AR-P02792-01	(S) -Pregabalin Dimer
AR-P00995-01	Pregabalin Lactam (Pregabalin EP Impurity A)
AR-P32491-01	Pregabalin Impurity 74
AR-P32498-01	Pregabalin Impurity 86
AR-P32506-01	Pregabalin Impurity 101
AR-P32521-01	Pregabalin Impurity 59
AR-P32495-01	Pregabalin Impurity 81
AR-P32518-01	Pregabalin Impurity 56

Catalog	Name
RM-P180201-01	Pregabalin Impurity A
RM-P180819-01	Rac-Pregabalin Imide Dimer Amide
RM-P180824-01	Pregabalin Impurity 124
RM-P180749-01	Pregabalin Impurity 49
RM-P180823-01	Pregabalin Impurity 123
RM-P180785-01	Pregabalin Impurity 85
RM-P180821-01	Pregabalin Impurity 121
RM-P180806-01	Pregabalin Impurity 106
RM-P180800-01	Pregabalin Impurity 100
RM-P180736-01	Pregabalin Impurity 10