AG005YHX

73590-85-9 | Omeprazole metabolite Omeprazole sulfide

AG005YHX

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CAS Number	73590-85-9
Catalog Number	AG005YHX(AGN-PC-0U3DWV)
Chemical Name	Omeprazole metabolite Omeprazole sulfide
EC Number	615-997-3
IUPAC Name	6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole
InChI	InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChI Key	XURCIPRUUASYLR-UHFFFAOYSA-N
MDL Number	MFCD00869021
Molecular Formula	C17H19N3O2S
Molecular Weight	329.4167
SMILES	CC1=CN=C(CSC2=NC3=CC(OC)=CC=C3N2)C(C)=C1OC
UNII	6FFV1V867C
Synonyms	H 168-22, omeprazole sulfide, omeprazole sulphide, UFIPRAZOLE, 73590-85-9, Omeprazole sulfide, Omeprazole metabolite Omeprazole sulfide, omeprazole sulphide, Pyrmetazole, UNII-6FFV1V867C, CHEMBL892, 6FFV1V867C, C17H19N3O2S, XURCIPRUUASYLR-UHFFFAOYSA-N, 2-{[(3,5-dimethyl-4-methoxy-2-pyridinyl)-methyl]-thio}-5-methoxy-1h-benzimidazole, 5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole, 5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylthio)-1H-benzo[d]imidazole, Ufiprazolum, Ufiprazol, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole, 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-1,3-benzodiazole, 6-Methoxy-2-{[(4-Methoxy-3,5-Dimethylpyridin-2-Yl)methyl]sulfanyl}-1h-Benzimidazole, Ufiprazole [INN], Ufiprazol [Spanish], Ufiprazolum [Latin], 5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)thio)benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)thio]-1h-benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-benzimidazole, 1C6, Esomeprazole, deoxy-, PubChem20748, ACMC-20p1dv, AC1L4EZF, DSSTox_CID_31605, DSSTox_RID_97489, DSSTox_GSID_57816, KSC005O9J, SCHEMBL662986, DTXSID7057816, CTK9A5794, KS-00000JNZ, QCR-287, BCP21782, HY-G0006, Tox21_113939, BDBM50240509, MFCD00869021, ZINC13603907, 5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)thio)benzimidazol, AKOS008263382, AKOS015963030, AN-1117, MCULE-2591277339, RL04792, NCGC00262946-01, AC-24286, AJ-64239, AK101105, AS-17791, BC214805, CJ-14441, SC-53665, AB0020806, CAS-73590-85-9, DB-032173, FT-0673287, O0437, ST24044836, V1823, J10480, 590M859, A837866, H-168/22, Omeprazole sulfide, pharmaceutical impurity standard, Q-201911, 5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)me, Z1203029456, 2-[[(3,5-Dimethyl-4-methoxy-2-pyridyl)methyl]thio]-5-methoxybenzimidazole, 1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)thio)-, 2-[[(3,5-dimethyl-4-methoxy-2-pyridinyl)methyl]thio]-5-methoxy-1H-benzimidazole, 5-Methoxy-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl thio-1H-benzimidazole, 5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethylsulfanyl)-1H-benzoimidazole, 5-Methoxy-2-[(3,5-dimethyl-4-methoxy-2-pyridinyl)methylthio]-1H-benzimidazole, 5-methoxy-2-[(4-methoxy-3,5-di-methylpyridin-2-yl)methylsulfanyl]-1h-benzimidazole, 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl-thio]-1H-benzimidazole, 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]-1H-benzimidazole, 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole, 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylthio]-1H-benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5 dimethyl-2-pyridinyl)methyl]thio]-1h-benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl)thio]-1H benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]thio]-1H-benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)thio]-1H benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio] benzimidazole, 5-methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio}-1H-benzimidazole, 6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylthio)-1H-benzo[d]imidazole, 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]-1H-benzimidazole, 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]-1H-benzimidazole, 6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-1H-benzimidazole, 6-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-benzimidazole, 5-Methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulphanyl]-1H-benzimidazole (Ufiprazole), 5-METHOXY-2-[[(4-METHOXY-3,5-DIMETHYLPYRIDIN-2-YL)METHYL]SULPHANYL]-1H-BENZIMIDAZOLE(Omeprazole Sulfide)(Omeprazole Impurity C), Pharmaceutical Secondary Standard; Certified Reference Material, omeprazole, Prilosec, C17-H19-N3-O2-S, CID155794, Omeprazole sulfide, 98% - 1G 1g, ACN-052258, CS-4102, CS-O-31176, 5-METHOXY-2-[((4-METHOXY-3,5, C040449, 2-(1,3-Benzodioxol-5-ylamino)ethanol hydrochloride, H 168-22, (1R,2S,5R)-menthyl-5(s)-cytosin-1-yl-1,3-oxathiolane-2R-carboxylate(CME), 2-[(4-Methoxyethoxy-3,5-dimethyl-2-pyridinyl)-methylthio]-5-methoxybenzimidazole, N/A,

Complexity	387
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.12g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	329.418g/mol
Monoisotopic Mass	329.12g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	85.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number