Lansoprazole Impurity 35

CAT: 1299-RM-L191661-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L191661-01Size:10 mg

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CAS Number

116418-99-6

Synonyms

2- (chloromethyl) -3-methyl-4-nitropyridine

Molecular Formula

C7H7ClN2O2

Molecular Weight

186.6

Target Alternative Name

Lansoprazole

Product Name Synonym

2- (chloromethyl) -3-methyl-4-nitropyridine

Chemical Information

2-(Chloromethyl)-3-methyl-4-nitropyridine

CAS Number	116418-99-6
PubChem CID	16095904
IUPAC Name	2-(chloromethyl)-3-methyl-4-nitropyridine
Molecular Formula	C7H7ClN2O2
Molecular Weight	186.59
XLogP	1.5
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	171

SMILES

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

InChI

InChI=1S/C7H7ClN2O2/c1-5-6(4-8)9-3-2-7(5)10(11)12/h2-3H,4H2,1H3

InChIKey

JGITUYGRSZWVLB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116418-99-6

CID: 16095904

Formula: C7H7ClN2O2

MW: 186.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.59
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	186.0196052
Monoisotopic Mass	186.0196052
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171
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