Esomeprazole strontium , Potassium-transporting ATPase inhibitor, CAS No.934714-36-0, Potassium-transporting ATPase inhibitor

CAS: 934714-36-0 Cat. No.: E671127 Molecular Weight: 848.5 EC Number: 110-835-3

Synonyms

ESOMEPRAZOLE STRONTIUM | ESOMEPRAZOLE STRONTIUM [VANDF] | (-)-5-Methoxy-2-((S)-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H- benzimidazole strontium salt tetrahydrate | C5N25H3803 | ESOMEPRAZOLE STRONTIUM [USP MONOGRAPH] | Esomeprazole stronti

Storage

Room temperature

Specifications

Synonyms

ESOMEPRAZOLE STRONTIUM | ESOMEPRAZOLE STRONTIUM [VANDF] | (-)-5-Methoxy-2-((S)-((4-methoxy-3, 5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H- benzimidazole strontium salt tetrahydrate | C5N25H3803 | ESOMEPRAZOLE STRONTIUM [USP MONOGRAPH] | Esomeprazole stronti

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Potassium-transporting ATPase inhibitor

Names and Identifiers

• Canonical Smiles: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.O.O.O.O.[Sr+2]
• IUPAC Name: strontium;5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;tetrahydrate
• InChIKey: NCGHIAKEJNQSMS-QLGOZJDFSA-N
• INCHI: 1S/2C17H18N3O3S.4H2O.Sr/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;;;;;/h2*5-8H,9H2,1-4H3;4*1H2;/q2*-1;;;;;+2/t2*24-;;;;;/m00...../s1
• Isomeric SMILES: CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.O.O.O.O.[Sr+2]
• Molecular Weight: 848.5
• Reaxy-Rn: 15483184
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15483184&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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 salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Sulfinylbenzimidazole - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Azacycle - Ether - Sulfinyl compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: 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