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Esomeprazole

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Identification
Molecular formula
C17H19F2N3O3S
CAS number
119141-88-7
IUPAC name
6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole
State
State

At room temperature, esomeprazole is in a solid state.

Melting point (Celsius)
155.00
Melting point (Kelvin)
428.00
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.00
General information
Molecular weight
345.42g/mol
Molar mass
345.4230g/mol
Density
1.4000g/cm3
Appearence

The compound typically appears as a white to slightly yellowish powder.

Comment on solubility

Solubility of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole

The solubility of the compound 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole (C17H19F2N3O3S) can be influenced by several factors:

  • Polarity: The presence of the difluoromethoxy and methoxy groups indicates a degree of polarity, which may enhance solubility in polar solvents such as water or methanol.
  • Hydrogen Bonding: The benzimidazole structure may enable the formation of hydrogen bonds, adding to its solubility potential in protic solvents.
  • Functional Groups: The sulfur and nitrogen functionalities may contribute different solubility characteristics, suggesting variable solubility depending on the solvent system employed.

In general, one cannot assume that this compound will have a high or low solubility without experimental data, as solubility is highly context-dependent. As quoted from solubility principles, "like dissolves like," indicating that the nature of the solvent significantly affects the solubility behavior. Researchers should consider this aspect when conducting solubility tests.

In conclusion, while theoretical predictions can provide some insight, direct solubility measurements in various solvents will yield the most accurate understanding of the solubility of this complex molecule.

Interesting facts

Interesting Facts about 6-(Difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole

This compound, known scientifically as 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole, brings together a unique blend of functional groups and molecular characteristics that make it particularly interesting for research and applications in medicinal chemistry.

  • Complex structure: The architecture of this compound is characterized by its benzimidazole core, which is known for its presence in various biologically active molecules.
  • Pharmacological potential: Compounds with substituted benzimidazole structures often demonstrate a range of pharmacological activities, including anticancer, anthelmintic, and anti-inflammatory properties.
  • Fluorine substitution: The introduction of difluoromethoxy features in organic compounds can significantly alter their reactivity and biological activity, potentially increasing their potency or altering their metabolic pathways.
  • Sulfinyl linkage: The presence of the methylsulfinyl group hints at its ability to participate in redox reactions, which could be crucial for certain therapeutic effects.

In the realm of medicinal chemistry, structure-activity relationships (SAR) often dictate the efficacy of drug candidates. The unique features of this compound provide an excellent platform for further study, with potential applications in drug design. As researchers continue to explore derivatives and analogs, understanding the role of each functional group will be key in predicting biological behavior and enhancing therapeutic efficacy. As one chemist put it, "The devil is in the details," and in this case, those details may lead to significant advancements in pharmacotherapy.

Synonyms
pantoprazole
102625-70-7
Pantozol
Protonix
Pantoprazol
Pantoprazolum
Pantoloc
BY-1023
SK&F-96022
Altopan
Panyocid
Zovanta
Pantoprazol [INN-Spanish]
Pantoprazolum [INN-Latin]
SK&F 96022
apo-Pantoprazole
Pantecta Control
BY 1023
SKF-96022
Controloc Control
HSDB 7292
Protonix I.V.
SK-96022
(S)-Pantoprazole
UNII-D8TST4O562
NSC-759257
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole
CHEBI:7915
D8TST4O562
1H-Benzimidazole, 5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl)sulfinyl)-
Somac Control
DTXSID4023416
Pantoloc Control
Pantozol Control
BY1023
CHEMBL1502
(+/-)-PANTOPRAZOLE
5-(Difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridyl)methyl)sulfinyl)benzimidazole
DTXCID803416
Pantoprazole sodium hydrate
EC 600-331-6
5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
NSC 759257
NCGC00095188-01
(+)-(R)-Pantoprazole
Pantoprazol (INN-Spanish)
Pantoprazolum (INN-Latin)
PANTOPRAZOLE (MART.)
PANTOPRAZOLE [MART.]
1H-BENZIMIDAZOLE, 5-(DIFLUOROMETHOXY)-2-(((3,4-DIMETHOXY-2-PYRIDYL)METHYL)SULFINYL)-
2-(((3,4-Dimethoxy-2-pyridinyl)methyl)-sulfinyl)-5-methyl-1H-1,3-benzimidazole
2-(((3,4-DIMETHOXYPYRIDIN-2-YL)METHYL)SULFINYL)-5-DIFLUOROMETHOXY-1H-BENZIMIDAZOLE
5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl)sulfinyl)-1h-benzimidazole
6-(DIFLUOROMETHOXY)-2-(((3,4-DIMETHOXY-2-PYRIDINYL)METHYL)SULFINYL)-1H-BENZIMIDAZOLE
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
CAS-102625-70-7
Pantoprazole (USAN/INN)
Pantoprazole [USAN:INN:BAN]
5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole
5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]benzimidazole
(R)-Pantoprazole
MFCD00870182
Pantoprazole (Protonix)
Pantoprazole (Standard)
164579-32-2
PANTOPRAZOLE [MI]
5-(Difluoromethoxy)-2-
PANTOPRAZOLE [INN]
PANTOPRAZOLE [HSDB]
PANTOPRAZOLE [USAN]
PANTOPRAZOLE [VANDF]
SCHEMBL29465
BSPBio_002320
MLS003882559
BIDD:GT0003
PANTOPRAZOLE [WHO-DD]
SPECTRUM1505818
GTPL7260
PANTOPRAZOLE [EMA EPAR]
A02BC02
HMS1922H20
HMS2090H03
HMS2093F14
Pharmakon1600-01505818
BCP20279
BCP21400
SFA70618
XLB72737
Tox21_111477
AC-679
BDBM50241342
HY-17507R
NSC759257
s2105
STL451032
AKOS015894910
AKOS034831879
Tox21_111477_1
CCG-213558
CCG-268437
CS-3161
DB00213
SB17368
5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole
6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole
NCGC00095188-02
NCGC00095188-03
NCGC00095188-04
NCGC00095188-05
NCGC00095188-08
NCGC00389443-01
BS-14224
HY-17507
SMR002533625
SBI-0206873.P001
NS00000297
P2262
D05353
G60931
AB01275513-01
AB01275513_02
A901011
EN300-19767202
Q286846
SR-01000763715
SR-01000763715-3
5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)
BRD-A22380646-001-01-5
BRD-A22380646-001-02-3
BRD-A22380646-001-05-6
BRD-A22380646-236-05-8
BRD-A22380646-236-06-6
(R)-(+)-Pantoprazole;(+)-(R)-Pantoprazole;Pantoprazole Isomer(R) Impurity
5-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole
5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole
5-Difluoromethoxy-2-(3,4-dimethoxy-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole
5-Difluoromethoxy-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole
6-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole
6-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazole
(R)-(+)-Pantoprazole;R-enantiomer of Pantoprazole;(R)-Pantoprazole;5-(Difluoromethoxy)-2-[(R)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole ;5-(Difluoromethoxy)-2-[(R)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole. - See more at: https://www.clearsynth.com/en/CST38666.html#sthash.yGNPTXpx.dpuf
(R)-6-(Difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
(S)-6-(Difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole