Omeprazole-d3 - ≥98 atom% D,≥98% , CAS No.922731-01-9

CAS: 922731-01-9 Cat. No.: O334336 Fórmula: C₁₇H₁₆D₃N₃O₃S Peso molecular: 348.43 Número CE: 804-338-7

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

6-(Methoxy-d3)-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-be nzimidazole-4,5,7-d3 | rac- Esomeprazole-d3; 6-(methoxy-d3)-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-Benzimidazole

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Omeprazole-d3 is a labeled form of omeprazole , a cell-permeable, selective proton pump inhibitor that inhibits H+/K+ ATPase in the digestive system. Specifically, omeprazole, inhibits gastric secretion.

Specifications

Sinónimos

6-(Methoxy-d3)-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-be nzimidazole-4,5,7-d3 | rac- Esomeprazole-d3; 6-(methoxy-d3)-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-Benzimidazole

Especificações e pureza

≥98 atom% D,≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98 atom% D,≥98%

Nomes e identificadores

Sorrisos canónicos

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

IUPAC Name

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

InChIKey

SUBDBMMJDZJVOS-HPRDVNIFSA-N

INCHI

1S/C17H19N3O3S/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,(H,19,20)/i3D3

SMILES isoméricas

[2H]C([2H])([2H])OC1=CC2=C(C=C1)N=C(N2)S(=O)CC3=NC=C(C(=C3C)OC)C

CAS alternativo

73590-58-6(Unlabelled)

Peso molecular

348.43

Reaxy-Rn

6489199

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6489199&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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 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 - Sulfinyl compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Acetonitrile, DMSO and Ethanol
• Ponto de ebulição (°C): ~600.0° C at 760 mmHg (Predicted)
• Peso molecular: 348.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 348.134 Da
• Monoisotopic Mass: 348.134 Da
• Topological Polar Surface Area: 96.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 453.000
• Isotope Atom Count: 3
• 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: 1