Omeprazole Sulfide - ≥98%(HPLC)(T) , CAS No.73590-85-9

CAS: 73590-85-9 Cat. No.: O159937 Summenformel: C₁₇H₁₉N₃O₂S Molekulargewicht: 329.42 EG-Nummer: 615-997-3

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

CAS-73590-85-9 | INDIUMNITRATE | MFCD00869021 | 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole | A837866 | Methylisocyanaat [Dutch] | Omeprazole metabolite Omeprazole sulfide | omeprazole sulphide | FT-0673288 | Q-2019

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

product description：

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. Omeprazole Impurity C is found to be as an impurity of omeprazole. Omeprazole is a benzimidazole derivative, which is widely used as an antiulcer drug and against other acid-related diseases.

application：

Olmesartan medoxomil may be used as a pharmaceutical secondary standard for the determination of the analyte in pharmaceutical formulations using different analytical techniques.These Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.

Specifications

Synonyme

CAS-73590-85-9 | INDIUMNITRATE | MFCD00869021 | 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole | A837866 | Methylisocyanaat [Dutch] | Omeprazole metabolite Omeprazole sulfide | omeprazole sulphide | FT-0673288 | Q-2019

Spezifikationen & Reinheit

≥98%(HPLC)(T)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)(T)

Namen und Kennungen

Pubchem Sid

488188268

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188268

Kanonisches Lächeln

CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC

IUPAC Name

6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole

InChIKey

XURCIPRUUASYLR-UHFFFAOYSA-N

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)

Isomere SMILES

CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC

Molekulargewicht

329.42

Reaxy-Rn

6429348

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6429348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Anisoles Methylpyridines Alkylarylthioethers Alkyl aryl ethers Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Aryl thioether - Anisole - Alkyl aryl ether - Methylpyridine - Alkylarylthioether - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Imidazole - Ether - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

BRS3 Tchem Bombesin receptor subtype-3 (700 Activities)

Discover Target: BRS3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Helicobacter pylori (3113 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol
• Schmelzpunkt (°C): 122.0 to 126.0 °C
• Molekulargewicht: 329.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 329.12 Da
• Monoisotopic Mass: 329.12 Da
• Topological Polar Surface Area: 85.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 387.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1