AG001QWD

158812-85-2 | 1H-Benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfonyl]-

AG001QWD

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CAS Number	158812-85-2
Catalog Number	AG001QWD(AGN-PC-0Q7LB7)
Chemical Name	1H-Benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfonyl]-
IUPAC Name	6-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methylsulfonyl]-1H-benzimidazole
InChI	InChI=1S/C17H19N3O5S/c1-10-8-20(21)15(11(2)16(10)25-4)9-26(22,23)17-18-13-6-5-12(24-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H,18,19)
InChI Key	ZBGMHRIYIGAEGJ-UHFFFAOYSA-N
MDL Number	MFCD20275125
Molecular Formula	C17H19N3O5S
Molecular Weight	377.4149
SMILES	CC1=C(OC)C(C)=C(CS(=O)(C2=NC3=CC=C(OC)C=C3N2)=O)[N+]([O-])=C1
UNII	3GZ7SI3024
Synonyms	Omeprazole Sulfone N-Oxide, 158812-85-2, UNII-3GZ7SI3024, 3GZ7SI3024, 4-Methoxy-2-(((6-methoxy-1H-benzo[d]imidazol-2-yl)sulfonyl)methyl)-3,5-dimethylpyridine 1-oxide, 4-Methoxy-2-(((6-methoxy-1H-benzo[d]imidazol-2-yl)-sulfonyl)methyl)-3,5-dimethylpyridine 1-oxide, 1H-Benzimidazole,6-methoxy-2-[[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfonyl]-, 1H-Benzimidazole, 6-methoxy-2-(((4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl)sulfonyl)-, 1H-Benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfonyl]-, Omeprazole impurity I [EP], Omeprazole related compound I, Omeprazole related compound I [USP], Omeprazole related compound I RS [USP], Omeprazole Sulphone N-Oxide, BEN504, SCHEMBL6949568, CTK4C9856, DTXSID60166530, Pyridine N-oxide omeprazole sulfone, BCP21300, MFCD20275125, ZINC22065482, AKOS016009070, AKOS030241887, 4-Methoxy-2-(((5-methoxy-1H-benzimidazol-2-yl)sulfonyl)methyl)-3,5-dimethylpyridine 1-oxide, DB-064245, RT-014859, FT-0673290, A1-03337, J-009532, J-522669, 4-Methoxy-2-[[(5-methoxy-1H-benzimidazol-2-yl)sulphonyl]methyl]-3,5-dimethylpyridine 1-Oxide (Omeprazole Sulphone N-Oxide), 5-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methylsulfonyl]-1H-benzimidazole, 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfonyl]-1H-Benzimidazole, Methyl3-chloroimidazo[1,2-b]pyridazine-2-carboxylate,

Complexity	583
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	377.105g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	377.415g/mol
Monoisotopic Mass	377.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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