5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole

Basic Information

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CAS Number

73590-58-6

Molecular Formula

C17H19N3O3S

Molecular Weight

345.42 g/mol

EINECS

615-996-8

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

white

Melting Point

156°C

Boiling Point

600.0±60.0 °C(Predicted)

Density

1.332 g/cm3

Water Solubility

Soluble in water (0.5 mg/ml), DMSO (25 mg/ml), and ethanol (4.5 mg/ml).

Flash Point

9℃

Solubility

H2O: 0.5 mg/mL

Vapor Pressure

No data available

SMILES

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

InChI

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)

InChIKey

SUBDBMMJDZJVOS-UHFFFAOYSA-N

LogP

2.8997400000000013

pKa

pKa 4.14/8.9(H2O,t =25,I=0.025) (Uncertain)

Topological Polar Surface Area

77.10000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

453

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable, but hygroscopic and photosensitive. Incompatible with strong oxidizing agents. Store in the dark.

Toxicity

LD50 in mice, rats (g/kg): 0.08, >0.05 i.v.; >4, >4 orally (Ekman)

Synonyms & References

English

Secrepina
Ulcsep
FT-0673283
NCGC00016925-04
UPCMLD-DP075
6-methoxy-2-[[(4-methoxy-3,5dimethyl-2-pyridinyl)-methyl]sulfinyl]-1h-benzimidazole
Opera_ID_1863
326602-80-6
Omeprazole, British Pharmacopoeia (BP) Reference Standard
BDBM50241343
Omebeta
NCGC00021522-05
cid_4594
DB00338
Good Sense Omeprazole
OMEPRAZOLE COMPONENT OF ZEGERID
BDBM50103597
SR-01000003003-4
1H-BENZIMIDAZOLE,6-METHOXY-2-[(R)-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL]SULFINYL]-
F0001-2386
6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole
6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole
Berkley and Jensen Omeprazole
Peptilcer
(+-)-Omeprazole
omeprazolo
CS-1868
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl- 1H-benzimidazole
SCHEMBL1191
CHEBI:91766
H-168/68

MDL Number

MFCD00083192

EC Number

615-996-8

Customs Code

29333990

FAQ

What is 5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 73590-58-6)?

5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole, with CAS number 73590-58-6, is a synthetic compound used primarily in pharmaceutical applications. It is a derivative of benzimidazole, known for its proton-pump inhibiting activity. This compound is commonly associated with the drug omeprazole, which is used to treat gastrointestinal disorders. It has a complex molecular structure and is valued for its stability and bioavailability in medicinal formulations.

What are the main uses of 5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 73590-58-6)?

5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 73590-58-6) is primarily used as an active pharmaceutical ingredient in proton-pump inhibitors like omeprazole. It helps reduce stomach acid production and is used to treat conditions such as gastroesophageal reflux disease (GERD), peptic ulcers, and Zollinger-Ellison syndrome. It is also used in research for its potential in drug development and gastrointestinal studies.

Is 5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 73590-58-6) safe?

5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 73590-58-6) is considered safe when used as directed in pharmaceutical applications. However, it should be handled with care, following standard laboratory safety protocols. Potential side effects include gastrointestinal discomfort and interactions with other medications. Safety standards ensure its proper use in medical treatments, minimizing risks to patients.

How should 5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 73590-58-6) be stored?

5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 73590-58-6) should be stored in a cool, dry place away from direct light. It is typically kept in airtight containers to prevent moisture and contamination. Storage at temperatures below 25°C and in a humidity-controlled environment is recommended to maintain its stability and potency over time.