Esomeprazole potassium salt - ≥98% , CAS No.161796-84-5

CAS: 161796-84-5 Cat. No.: E275426 分子式: C₁₇H₁₈KN₃O₃S 分子量: 383.51 EC番号: 695-792-3

グレード＆純度 ≥98%

Synonyms

(s)-omeprazole potassium | Esomeprazole potassium | FOFFPEFVSRGLOZ-UHFFFAOYSA-N | Esomeprazole potassium salt | CCG-213053 | potassium 5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)benzo[d]imidazol-1-ide | Potassium;5-methoxy-2-[(4-metho

Storage

Room temperature

Shipped In

Normal

概要

Store at Room Temperature. The product can be stored for up to 12 months.

仕様

同義語

(s)-omeprazole potassium | Esomeprazole potassium | FOFFPEFVSRGLOZ-UHFFFAOYSA-N | Esomeprazole potassium salt | CCG-213053 | potassium 5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)benzo[d]imidazol-1-ide | Potassium;5-methoxy-2-[(4-metho

仕様と純度

≥98%

生化学的・生理学的メカニズム

Selective H+/K+-ATPase inhibitor. Potassium salt of Esomeprazole . (S)-isomer of omeprazole. Inhibits gastric secretion. Shows antiulcerative effects in vivo. Orally active.

保管条件

Room temperature

入荷

Normal

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%

名前と識別子

カノニカル・スマイル

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[K+]

IUPAC Name

potassium;5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide

InChIKey

FOFFPEFVSRGLOZ-UHFFFAOYSA-N

INCHI

1S/C17H18N3O3S.K/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1

異性体SMILES

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[K+]

分子量

383.51

Reaxy-Rn

14293295

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14293295&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzimidazoles
      • Subclass Sulfinylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzimidazoles
• Subclass: Sulfinylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfinylbenzimidazoles
• Alternative Parents: Anisoles Methylpyridines Alkyl aryl ethers Imidazoles Heteroaromatic compounds Sulfoxides Sulfinyl compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sulfinylbenzimidazole - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Ether - Azacycle - Organic alkali metal salt - Sulfinyl compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic potassium salt - Organic salt - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
• 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

化学的性質と物理的性質

• 分子量: 383.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 383.071 Da
• Monoisotopic Mass: 383.071 Da
• Topological Polar Surface Area: 81.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 459.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3