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Lansoprazole Impurity O

CAT: 1299-RM-L121917-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L121917-01Size:10 mg
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CAS Number
1187926-84-6
Synonyms
2- (((3-methyl-4- (2,2,2-trifluoroethoxy) pyridin-2-yl) methyl) sulfinyl) -1- (2,2,2-trifluoroethyl) -1H-benzo[d]imidazole; Lansoprazole N-Trifuoroethyl Impurity
Molecular Formula
C18H15F6N3O2S
Molecular Weight
451.39
Target Alternative Name
Lansoprazole
Product Name Synonym
2- (((3-methyl-4- (2,2,2-trifluoroethoxy) pyridin-2-yl) methyl) sulfinyl) -1- (2,2,2-trifluoroethyl) -1H-benzo[d]imidazole; Lansoprazole N-Trifuoroethyl Impurity

Chemical Information

Lansoprazole N-trifuoroethyl impurity
CAS Number1187926-84-6
PubChem CID58129419
IUPAC Name2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1-(2,2,2-trifluoroethyl)benzimidazole
Molecular FormulaC18H15F6N3O2S
Molecular Weight451.4
XLogP4
Topological Polar Surface Area76.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity605
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2CC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C18H15F6N3O2S/c1-11-13(25-7-6-15(11)29-10-18(22,23)24)8-30(28)16-26-12-4-2-3-5-14(12)27(16)9-17(19,20)21/h2-7H,8-10H2,1H3
InChIKey
NMIFKRVSKUGJRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lansoprazole N-trifuoroethyl impurity
CAS: 1187926-84-6
CID: 58129419
Formula: C18H15F6N3O2S
MW: 451.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass451.07891688
Monoisotopic Mass451.07891688
Topological Polar Surface Area76.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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