Gabapentin EP Impurity B Potassium Salt

CAT: 1596-AR-G01004-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G01004-01Size:10 Units

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CAS Number

133481-12-6

Synonyms

Potassium2- (1-cyanocyclohexyl) acetate

Molecular Formula

C9H12NO2. K

Molecular Weight

166.20 39.10

API Name

Gabapentin

Chemical Information

Potassium 2-(1-cyanocyclohexyl)acetate

CAS Number	133481-12-6
PubChem CID	23672403
IUPAC Name	potassium 2-(1-cyanocyclohexyl)acetate
Molecular Formula	C9H12KNO2
Molecular Weight	205.30
Topological Polar Surface Area	63.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	225

SMILES

C1CCC(CC1)(CC(=O)[O-])C#N.[K+]

InChI

InChI=1S/C9H13NO2.K/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-6H2,(H,11,12);/q;+1/p-1

InChIKey

AIPKMNGCAXYDJB-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 133481-12-6

CID: 23672403

Formula: C9H12KNO2

MW: 205.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	205.05051011
Monoisotopic Mass	205.05051011
Topological Polar Surface Area	63.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	225
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	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-G01674-01	Gabapentin EP Impurity B
AR-A05284-01	Acamprosate EP Impurity B Potassium Salt
AR-G01006-01	Gabapentin EP Impurity A
AR-C07859-01	Potassium Clavulanate EP Impurity B Sodium Salt
AR-G01010-01	Gabapentin EP Impurity G
AR-G01778-01	Gabapentin EP Impurity E
AR-G01005-01	Gabapentin EP Impurity D
AR-G01007-01	Gabapentin EP Impurity E
AR-E01573-01	Eplerenone EP Impurity F Potassium salt
AR-C04017-01	Clavulanate Potassium EP Impurity B

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RM-G021614-01	Gabapentin Impurity 14
RM-G021612-01	Gabapentin Impurity 12
RM-G021617-01	Gabapentin Impurity 17