Lansoprazole Impurity 1

CAT: 1299-RM-L121927-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L121927-01Size:10 mg

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CAS Number

163119-28-6

Synonyms

2- (chloromethyl) -3-methyl-4- (2,2,2-trifluoroethoxy) pyridine 1-oxide

Molecular Formula

C9H9ClF3NO2

Molecular Weight

255.62

Target Alternative Name

Lansoprazole

Product Name Synonym

2- (chloromethyl) -3-methyl-4- (2,2,2-trifluoroethoxy) pyridine 1-oxide

Chemical Information

2-Chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine N-Oxide

CAS Number	163119-28-6
PubChem CID	23656704
IUPAC Name	2-(chloromethyl)-3-methyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-1-ium
Molecular Formula	C9H9ClF3NO2
Molecular Weight	255.62
XLogP	1.7
Topological Polar Surface Area	34.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	227

SMILES

CC1=C(C=C[N+](=C1CCl)[O-])OCC(F)(F)F

InChI

InChI=1S/C9H9ClF3NO2/c1-6-7(4-10)14(15)3-2-8(6)16-5-9(11,12)13/h2-3H,4-5H2,1H3

InChIKey

RHMLJJHQPXWHRI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 163119-28-6

CID: 23656704

Formula: C9H9ClF3NO2

MW: 255.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.62
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	255.0273907
Monoisotopic Mass	255.0273907
Topological Polar Surface Area	34.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	227
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-L191634-01	Lansoprazole Impurity 8
RM-L191617-01	Lansoprazole Thioxo Impurity
RM-L191633-01	Lansoprazole Impurity 7
RM-L191655-01	Lansoprazole Impurity 29
RM-L191659-01	Lansoprazole Impurity 33
RM-L121929-01	Lansoprazole Impurity 3
RM-L191651-01	Lansoprazole Impurity 25
RM-L191644-01	Lansoprazole Impurity 18
RM-L191646-01	Lansoprazole Impurity 20
RM-L191637-01	Lansoprazole Impurity 11

Catalog	Name
AR-L01150-01	Lansoprazole Thioxo Impurity
AR-L01158-01	Lansoprazole Dessulphur Impurity
AR-L01172-01	Lansoprazole Impurity 6
AR-L06558-01	Lansoprazole Impurity 21
AR-L06542-01	Lansoprazole Impurity 32
AR-L06541-01	Lansoprazole Impurity 31
AR-L06554-01	Lansoprazole Impurity 11
AR-L06555-01	Lansoprazole Impurity 12
AR-L06537-01	Lansoprazole Impurity 27
AR-L06526-01	Lansoprazole Impurity 2