Pantoprazole sodium - ≥98% , CAS No.138786-67-1

CAS: 138786-67-1 Cat. No.: P275166 Molecular Weight: 405.4 EC Number: 604-093-4 PubChem CID: 15008962

GRADE & PURITY ≥98%

Synonyms

PANTOPRAZOLE SODIUMDelayed Release | Protonix IV | MFCD01658543 | MLS001424073 | NCGC00167757-03 | Tox21_302362 | UNII-S9363155XL | 1H-BENZIMIDAZOLE, 5-(DIFLUOROMETHOXY)-2-(((3,4-DIMETHOXY-2-PYRIDYL)METHYL)SULFINYL)-, SODIUM SALT, HYDRATE (2:3) | D94841 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

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

Specifications

Synonyms

PANTOPRAZOLE SODIUMDelayed Release | Protonix IV | MFCD01658543 | MLS001424073 | NCGC00167757-03 | Tox21_302362 | UNII-S9363155XL | 1H-BENZIMIDAZOLE, 5-(DIFLUOROMETHOXY)-2-(((3, 4-DIMETHOXY-2-PYRIDYL)METHYL)SULFINYL)-, SODIUM SALT, HYDRATE (2:3) | D94841 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

H + /K + ATPase proton pump inhibitor. Anti-inflammatory. Inhibits hydroxyl radicals and gastric acid secretion. Orally active. Active in vivo and in vitro .

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767754
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767754
• Canonical Smiles: COC1=C(C(=NC=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC(F)F)OC.[Na+]
• IUPAC Name: sodium;5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
• InChIKey: YNWDKZIIWCEDEE-UHFFFAOYSA-N
• INCHI: 1S/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1
• Isomeric SMILES: COC1=C(C(=NC=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC(F)F)OC.[Na+]
• PubChem CID: 15008962
• Molecular Weight: 405.4

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: Alkyl aryl ethers Pyridines and derivatives Benzenoids Heteroaromatic compounds Imidazoles Sulfoxides Sulfinyl compounds Azacyclic compounds Organic metal halides Organic oxides Organic sodium salts Hydrocarbon derivatives Organic zwitterions Organofluorides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sulfinylbenzimidazole - Alkyl aryl ether - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Ether - Organic metal halide - Sulfinyl compound - Azacycle - Organic alkali metal salt - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - 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: organic sodium salt

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

Chemical and Physical Properties

• Solubility: Soluble in water or ethanol
• Sensitivity: Hygroscopic
• Molecular Weight: 405.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 405.057 Da
• Monoisotopic Mass: 405.057 Da
• Topological Polar Surface Area: 90.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 497.000
• 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

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