Cas no 88546-55-8 (Omeprazole metabolite Omeprazole sulfone)

Omeprazole metabolite Omeprazole sulfone structure
88546-55-8 structure
Product Name:Omeprazole metabolite Omeprazole sulfone
CAS No:88546-55-8
MF:C17H19N3O4S
MW:361.415462732315
MDL:MFCD00869772
CID:721517
PubChem ID:329818824
Update Time:2024-12-09

Omeprazole metabolite Omeprazole sulfone Chemical and Physical Properties

Names and Identifiers

    • 5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazole
    • Omeprazole Related Compound A
    • Omeprazole Sulfone
    • 1H-Benzimidazole, 6-methoxy -2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-
    • 5-methoxy-2-[[(4-methxoy-3,5-dimethylpyridin-2-yl)methyl]sulfonyl]-1H-benzimidazole(omeprazole-sulfone)
    • Omeprazole metabolite Omeprazole sulfone
    • Omeprazole sulphone
    • 1H-Benzimidazole,6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]
    • BEN501
    • OMeprazole Related CoMpound A (AS)
    • 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazole
    • 5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl}-1H-benzimidazole
    • 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfonyl]-1H-benzimidazole
    • 6-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole
    • 1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]- (9CI)
    • 6-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole (ACI)
    • 2-[(3,5-Dimethyl-4-methoxy-2-pyridyl)methylsulfonyl]-5-methoxy-1H-benzimidazole
    • 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole
    • H 168/66
    • Omeprazole Impurity Ⅰ
    • Omeprazole impurity D
    • 5-METHOXY-2-(((4-METHOXY-3,5-DIMETHYLPYRIDIN-2-YL)METHYL)SULFONYL)-1H-BENZIMIDAZOLE
    • MFCD00869772
    • 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulonyl]-1H-benzimidazole
    • 5-METHOXY-2-[(4-METHOXY-3,5-DIMETHYLPYRIDIN-2-YL)METHANESULFONYL]-1H-1,3-BENZODIAZOLE
    • OMEPRAZOLE MAGNESIUM IMPURITY D (EP IMPURITY)
    • 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfonyl]-1H-1,3-benzodiazole
    • AC-26336
    • NS00003072
    • Omeprazole sulfone, analytical standard
    • A1-03336
    • Omeprazole impurity D, European Pharmacopoeia (EP) Reference Standard
    • UNII-76X040Z74O
    • 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methane)sulfonyl)-1H-1,3-benzodiazole
    • OMEPRAZOLE IMPURITY D (EP IMPURITY)
    • AKOS016008021
    • OMEPRAZOLE IMPURITY D [EP IMPURITY]
    • DTXCID40159607
    • 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfonyl}-1H-benzimidazole
    • Q27266521
    • SCHEMBL2340649
    • AKOS040733915
    • NCGC00485902-01
    • 76X040Z74O
    • 5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfonyl)-1H-benzoimidazole
    • 1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfonyl)-
    • 5-Methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulphonyl]-1H-benzimidazole (Omeprazole Sulphone)
    • BCP05850
    • 88546-55-8
    • SY036683
    • 1ST159014
    • CHEBI:166518
    • HY-G0007
    • STL452970
    • CHEMBL1344
    • DTXSID40237116
    • DA-66338
    • 5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl)-1H-benzo[d]imidazole
    • OmeprazolemetaboliteOmeprazolesulfone
    • 5-methoxy-2-{[(4-methoxy-3,5-dimeth-yl-2-pyridyl)methyl]sulfonyl}benzimidazole
    • BDBM50139805
    • 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole
    • Omeprazole sulfone;Omeprazole sulphone
    • 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfonyl}-1H-1,3-benzodiazole
    • OMEPRAZOLE MAGNESIUM IMPURITY D [EP IMPURITY]
    • AS-64817
    • Omeprazole-sulfone
    • MDL： MFCD00869772
    • 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
    • SMILES： O=S(CC1C(C)=C(OC)C(C)=CN=1)(C1NC2C(=CC=C(C=2)OC)N=1)=O

Computed Properties

  • Exact Mass: 361.11000
  • Monoisotopic Mass: 361.10962727g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 5
  • Complexity: 553
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 103?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 80-82°C
  • Boiling Point: 599.3°C at 760 mmHg
  • Flash Point: 316.2±32.9 °C
  • PSA: 102.55000
  • LogP: 3.64660
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

Omeprazole metabolite Omeprazole sulfone Security Information

Omeprazole metabolite Omeprazole sulfone Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Omeprazole metabolite Omeprazole sulfone Pricemore >>

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Omeprazole metabolite Omeprazole sulfone Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium bicarbonate Solvents: Dichloromethane ;  rt → -5 °C
1.2 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ;  -5 °C; 2 h, -5 °C
Reference
Preparation of two impurities of omeprazole
Hao, Linghua; Li, Wei; Wei, Jinzhao; Chen, Shuai; Wu, Song, Zhongguo Yiyao Gongye Zazhi, 2009, 40(2), 97-98

Production Method 2

Reaction Conditions
1.1 Solvents: Ethanol ,  Water ;  48 h, pH 7.6, 30 °C
Reference
A study on the effect of various physicochemical parameters on biosulphoxidation of omeprazole intermediate
Sandhyavali, M. S.; Brahmani Priyadarshini, S. R.; Katta, Deepa Rani, Research Journal of Pharmaceutical, 2011, 2(4), 373-381

Production Method 3

Reaction Conditions
1.1 Catalysts: Titanium isopropoxide ,  (4S,5S,15S,16S,26S,27S)-10,21,32-Trimethyl-4,5,15,16,26,27-hexaphenyl-3,6,14,17,… Solvents: Toluene ,  Water ;  1 h, 25 °C
1.2 25 °C → 50 °C; 1 h, 50 °C; 50 °C → 25 °C
1.3 Reagents: Cumene hydroperoxide ,  Diisopropylethylamine Solvents: Cumene ;  1 h, 25 °C
Reference
Catalytic Asymmetric Synthesis of Esomeprazole by a Titanium Complex with a Hexa-aza-triphenolic Macrocycle Ligand
Song, Weiguo; Dong, Liangjun; Zhou, Yuhan; Fu, Yongqiang; Xu, Wenfang, Synthetic Communications, 2015, 45(1), 70-77

Production Method 4

Reaction Conditions
1.1 Reagents: Benzoic acid, 4-(dimethylamino)-, lithium salt (1:1) Catalysts: Iron(III) acetylacetonate ,  2,4-Dichloro-6-[(E)-[[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]imino]methyl]phe… Solvents: Ethyl acetate ;  60 min, 25 °C
1.2 Reagents: Hydrogen peroxide Solvents: Ethyl acetate ;  -15 °C; 10 h, -15 °C; 14 h, -13 - -9 °C
Reference
Synthesis of Esomeprazole and Related Proton Pump Inhibitors through Iron-Catalyzed Enantioselective Sulfoxidation
Nishiguchi, Shigenobu; Izumi, Takuhiro; Kouno, Takayoshi; Sukegawa, Junpei; Ilies, Laurean ; et al, ACS Catalysis, 2018, 8(10), 9738-9743

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Permanganic acid (HMnO4), potassium salt (1:1) ,  Potassium nitrate Solvents: Water ;  24 h, 328 K
Reference
Kinetics and mechanism of uncatalyzed oxidation of omeprazole by alkaline potassium permanganate
Shashidhar, S.; Shastry, Vidyavati; Sateesh, B. C., International Journal of Pharmacy and Pharmaceutical Research, 2018, 13(2), 59-71

Production Method 6

Reaction Conditions
1.1 Reagents: Triethylamine ,  Hydrogen peroxide Catalysts: Ammonium molybdenum oxide ((NH4)6Mo7O24), hydrate (1:4) Solvents: Methyl ethyl ketone ,  Water ;  30 min, 0 °C; 0 °C
Reference
Process for preparation of proton pump inhibitors of benzimidazole derivatives
, China, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Cumene hydroperoxide Catalysts: Titanium isopropoxide ,  Water ,  (2S,3S)-2,3-Dihydroxy-N1,N4-bis(phenylmethyl)butanediamide Solvents: Toluene ;  2 h, 30 °C
Reference
Catalytic asymmetric oxidation of 1H-benzimidazolyl pyridinylmethyl sulfides with cumene hydroperoxide catalyzed by a titanium complex with (S,S)-N,N'-dibenzyl tartramide ligand
Che, Guoyong; Xiang, Jing; Tian, Tian; Huang, Qingfei; Cun, Linfeng; et al, Tetrahedron: Asymmetry, 2012, 23(6-7), 457-460

Production Method 8

Reaction Conditions
1.1 Reagents: Acetic acid ,  Hydrogen peroxide ,  STS (complexing agent) Catalysts: Protein (human SynSV6-8 cell pre-B lymphocyte growth-supporting) Solvents: Water
Reference
Synthesis and evaluation of omeprazole-based derivatives as eco-friendly corrosion inhibitors for Q235 steel in hydrochloric acid
Liu, Ying; Wang, Zhuo; Chen, Xiao; Zhang, Zhilin; Wang, Baozheng; et al, Journal of Environmental Chemical Engineering, 2022, 10(6),

Production Method 9

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Hydrogen peroxide ,  Ammonium molybdate ((NH4)2MoO4) Solvents: Water ;  90 min, pH 9.3, 20 - 25 °C
1.2 Reagents: Sodium thiosulfate
1.3 Reagents: Acetic acid Solvents: Water ;  pH 9.1
Reference
Monitoring and Quantification of Omeprazole Synthesis Reaction by In-Line Raman Spectroscopy and Characterization of the Reaction Components
Sahnic, Damir; Mestrovic, Ernest; Jednacak, Tomislav; Habinovec, Iva; Parlov Vukovic, Jelena; et al, Organic Process Research & Development, 2016, 20(12), 2092-2099

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Amadis Chemical Company Limited
(CAS:88546-55-8)Omeprazole metabolite Omeprazole sulfone
A855315
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Quantity:250mg/1g
Price ($):174.0/467.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:88546-55-8)奧美拉唑雜質(zhì)A
LE27022270
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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