Lansoprazole N-oxide

CAT: 0926-IL24840-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-IL24840-01Size:5 mg

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CAS Number

213476-12-1

Synonyms

2-[[[3-Methyl-1-oxido-4- (2,2,2-trifluoroethoxy) -2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole; Lansoprazole impurity A

MDL Number

MFCD22380629

Smiles

CC1=C (C=C[N+] (=C1CS (=O) C2=NC3=CC=CC=C3N2) [O-]) OCC (F) (F) F

Molecular Formula

C16H14F3N3O3S

Molecular Weight

385.36 g/mol

Controlled

Chemical Information

Lansoprazole N-oxide

CAS Number	213476-12-1
PubChem CID	23656863
IUPAC Name	2-[[3-methyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methylsulfinyl]-1H-benzimidazole
Molecular Formula	C16H14F3N3O3S
Molecular Weight	385.4
XLogP	2
Topological Polar Surface Area	99.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	511

SMILES

CC1=C(C=C[N+](=C1CS(=O)C2=NC3=CC=CC=C3N2)[O-])OCC(F)(F)F

InChI

InChI=1S/C16H14F3N3O3S/c1-10-13(22(23)7-6-14(10)25-9-16(17,18)19)8-26(24)15-20-11-4-2-3-5-12(11)21-15/h2-7H,8-9H2,1H3,(H,20,21)

InChIKey

OBGHBYDDJGHGNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 213476-12-1

CID: 23656863

Formula: C16H14F3N3O3S

MW: 385.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	385.4
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	385.07079698
Monoisotopic Mass	385.07079698
Topological Polar Surface Area	99.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	511
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FL24842-01	Lansoprazole sulfone N-oxide
FM24839-01	Lansoprazole
IL32158-01	Lansoprazole sulfone
FL24838	(S) -Lansoprazole
FL24837-01	(R) -Lansoprazole
IL24841-01	Lansoprazole sulfide
DD12118-01	N, N-Dimethyldodecylamine N-oxide
FD36367-01	N, N-Dimethyldecylamine-N-oxide
PCA54424-01	Moclobemide N-oxide
XI161641-01	Intermedine N-oxide

Catalog	Name
TRC-L175035-5MG	Lansoprazole N-Oxide
AR-L01138-01	Lansoprazole EP Impurity A (Lansoprazole N-Oxide)
RM-L191608-01	Lansoprazole Sulfone N-Oxide
TRC-L175045-50MG	Lansoprazole Sulfide N-Oxide
CS-O-51717	(R) -Lansoprazole N-Oxide
RM-L191665-01	(R) - (+) -Lansoprazole N-Oxide
sc-488771	Lansoprazole-d4 N-Oxide
AR-L01160-01	Lansoprazole Pyridine N-Oxide