Lansoprazole Dessulphur Impurity

CAT: 1596-AR-L01158-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L01158-01Size:10 Units

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CAS Number

1409978-52-4

Synonyms

2- (3-methyl-2-methylene-4- (2,2,2-trifluoroethoxy) pyridin-1 (2H) -yl) -1H-benzo[d]imidazole

Molecular Formula

C16H14F3N3O

Molecular Weight

321.3

API Name

Lansoprazole

Chemical Information

2-(3-Methyl-2-methylene-4-(2,2,2-trifluoroethoxy)pyridin-1(2H)-yl)-1H-benzo[d]imidazole

CAS Number	1409978-52-4
PubChem CID	131873527
IUPAC Name	2-[3-methyl-2-methylidene-4-(2,2,2-trifluoroethoxy)-1-pyridinyl]-1H-benzimidazole
Molecular Formula	C16H14F3N3O
Molecular Weight	321.30
XLogP	4.1
Topological Polar Surface Area	41.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	541

SMILES

CC1=C(C=CN(C1=C)C2=NC3=CC=CC=C3N2)OCC(F)(F)F

InChI

InChI=1S/C16H14F3N3O/c1-10-11(2)22(8-7-14(10)23-9-16(17,18)19)15-20-12-5-3-4-6-13(12)21-15/h3-8H,2,9H2,1H3,(H,20,21)

InChIKey

QATFPGPMLCYYAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1409978-52-4

CID: 131873527

Formula: C16H14F3N3O

MW: 321.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	321.30
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	321.10889656
Monoisotopic Mass	321.10889656
Topological Polar Surface Area	41.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	541
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
AR-L01150-01	Lansoprazole Thioxo 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
AR-L02174-01	Lansoprazole Hydroxymethyl Impurity

Catalog	Name
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
RM-L121927-01	Lansoprazole Impurity 1