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Omeprazole Sulfide - >98.0%(HPLC)(T), high purity , CAS No.73590-85-9

1 Citations

COA

Grade & Purity:

≥98%(HPLC)(T)

Cas Number: 73590-85-9
Molecular Weight: 329.42
MDL number: MFCD00869021
PubChem CID: 155794
PubChem SID: 488188268

In stock

Item Number

O159937

Grouped product items
SKU	Size	Availability	Price
O159937-5g	5g	3	$9.90
O159937-25g	25g	4	$22.90
O159937-100g	100g	3	$75.90
O159937-500g	500g	1	$321.90

View related series

Benzimidazoles (91) Drug Metabolite (241) Five-Membered Heterocyclic Compounds (2064) Metabolic Enzyme/Protease (4860) Metabolite (5307)

Basic Description

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
Specifications & Purity	≥98%(HPLC)(T)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488188268
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188268
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)
InChIKey	XURCIPRUUASYLR-UHFFFAOYSA-N
Smiles	CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC
Isomeric SMILES	CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC
Molecular Weight	329.42
Reaxy-Rn	6429348
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6429348&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in methanol
Melt Point(°C)	122.0 to 126.0 °C
Molecular Weight	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 Å²
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xinqi Xu, Yaping Meng, Bingmei Su, Juan Lin. (2024) Development of whole cell biocatalytic system for asymmetric synthesis of esomeprazole with enhancing coenzyme biosynthesis pathway. ENZYME AND MICROBIAL TECHNOLOGY, 179 (110469).

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