AG004DP5

88546-55-8 | Omeprazole metabolite Omeprazole sulfone

AG004DP5

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CAS Number	88546-55-8
Catalog Number	AG004DP5(AGN-PC-0VMAP2)
Chemical Name	Omeprazole metabolite Omeprazole sulfone
IUPAC Name	6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole
InChI	InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChI Key	IXEQEYRTSRFZEO-UHFFFAOYSA-N
MDL Number	MFCD00869772
Molecular Formula	C17H19N3O4S
Molecular Weight	361.4155
SMILES	COC1=CC2=C(NC(=N2)S(=O)(=O)CC2=NC=C(C)C(OC)=C2C)C=C1
UNII	76X040Z74O
Synonyms	omeprazole sulfone, omeprazole sulphone, Omeprazole sulfone, 88546-55-8, Omeprazole sulphone, Omeprazole metabolite Omeprazole sulfone, 5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazole, UNII-76X040Z74O, CHEMBL1344, 76X040Z74O, 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole, 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfonyl}-1H-benzimidazole, AC1L3S5E, BEN501, SCHEMBL2340649, CTK8C4219, DTXSID40237116, BCP05850, HY-G0007, 4281AC, ANW-71284, BDBM50139805, MFCD00869772, STL452970, ZINC13559434, AKOS016008021, API0000748, Omeprazole sulfone, analytical standard, NCGC00485902-01, AC-26336, AK101108, BC228442, SC-83264, AX8232454, TC-160029, FT-0673289, A1-03336, 5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl), Omeprazolerelatedcompound a(15 mg)(omeprazole sulfone)(as), Omeprazole related compound a (15 mg) (omeprazole sulfone) (as), Omeprazole impurity D, European Pharmacopoeia (EP) Reference Standard, 1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfonyl)-, 1H-Benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-, 5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl)-1H-benzo[d]imidazole, 5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfonyl)-1H-benzoimidazole, 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole, 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole, 5-methoxy-2-{[(4-methoxy-3,5-dimeth-yl-2-pyridyl)methyl]sulfonyl}benzimidazole, 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfonyl]-1H-1,3-benzodiazole, 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfonyl}-1H-1,3-benzodiazole, Omeprazole Related Compound A, United States Pharmacopeia (USP) Reference Standard, 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfonyl]-1H-benzimidazole (Omeprazole Related Compound A)(Omeprazole Impurity D), Pharmaceutical Secondary Standard; Certified Reference Material, 5-Methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulphonyl]-1H-benzimidazole (Omeprazole Sulphone), EsoMeprazole related substance D;H168/66;6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole, C17H19N3O4S, C17-H19-N3-O4-S, CID145900, CS-4103, CS-O-10305, Omeprazole sulfone, 98% - 10mg 10mg, C040450,

Complexity	553
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	361.11g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	361.416g/mol
Monoisotopic Mass	361.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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

Lot Number