Tegoprazan | CAS No. 942195-55-3

Tegoprazan

Basic Information

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CAS Number

942195-55-3

Molecular Formula

C20H19F2N3O3

Molecular Weight

387.39 g/mol

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=NC2=C(N1)C=C(C=C2OC3CCOC4=C3C(=CC(=C4)F)F)C(=O)N(C)C

InChI

InChI=1S/C20H19F2N3O3/c1-10-23-14-6-11(20(26)25(2)3)7-17(19(14)24-10)28-15-4-5-27-16-9-12(21)8-13(22)18(15)16/h6-9,15H,4-5H2,1-3H3,(H,23,24)/t15-/m0/s1

InChIKey

CLIQCDHNPDMGSL-HNNXBMFYSA-N

LogP

3.7539200000000026

Topological Polar Surface Area

67.45 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

581

Synonyms & References

English

Tegoprazan
W017G7IF4S
(S)-4-((5,7-Difluorochroman-4-yl)oxy)-N,N,2-trimethyl-1H-benzo[d]imidazole-6-carboxamide
7-[[(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]oxy]-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide
Tegoprazan [INN]
(S)-4-((5,7-difluorochroman-4-yl)oxy)-N,N,2-trimethyl-1H-benzo(d)imidazole-6-carboxamide
SB19814
1H-Benzimidazole-5-carboxamide, 7-(((4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran
7-[[(4S)-5,7-Difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl-1H-benzimidazole-5-carboxamide (ACI)
(S)-4-((5,7-difluorochroman-4-yl)oxy)-N,N,2-trimethyl-1H-benzo[d]imidazole-6-carboxamide
CS-0014702
GTPL12008
CLIQCDHNPDMGSL-HNNXBMFYSA-N
942195-55-3
HY-17623
SCHEMBL2687723
1H-Benzimidazole-5-carboxamide, 7-[[(4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl-
D12246
7-(((4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)oxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide
8BN
LXI-15028
K-CAB
Q27292116
IN-A001
Tegoprazan?
tegoprazanum
7-(((4S)-5,7-Difluoro-3,4-dihydro-2H-chromen-4-yl)oxy)-N,N,2-trimethyl-1H-benzimidazole-5-carboxamide
AS-84160
UNII-W017G7IF4S
(S)-7-((5,7-DIFLUOROCHROMAN-4-YL)OXY)-N,N,2-TRIMETHYL-1H-BENZO(D)IMIDAZOLE-5-CARBOXAMIDE
CJ12420

MDL Number

MFCD00076748

FAQ

What are the physical and chemical properties of Tegoprazan (CAS: 942195-55-3)?

Tegoprazan (CAS: 942195-55-3) is a crystalline compound with a molecular weight of approximately 365.4 g/mol. It is slightly soluble in water and ethanol but poorly soluble in non-polar solvents. Tegoprazan is a weak base with a pKa of about 3.8. It is chemically stable under normal conditions but can degrade under acidic or oxidative conditions.

How is Tegoprazan (CAS: 942195-55-3) typically synthesized?

Tegoprazan (CAS: 942195-55-3) is usually synthesized via a multi-step process involving alkylation, ring closure, and amidation reactions. Key steps include the use of tert-butyldimethylsilyl chloride as a protecting group, followed by ring formation using a condensation agent. The final amidation step uses sodium hydride and an amide to form the desired product with a high yield and selectivity.

What industries use Tegoprazan (CAS: 942195-55-3)?

Tegoprazan (CAS: 942195-55-3) is primarily used in the pharmaceutical industry. It is an active ingredient in proton pump inhibitors and is used to treat gastrointestinal disorders such as peptic ulcers and gastroesophageal reflux disease (GERD). While not extensively used in other industries, it may have potential applications in polymer science and as a component in biomedical devices.

What precautions should be taken when handling Tegoprazan (CAS: 942195-55-3)?

When handling Tegoprazan (CAS: 942195-55-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated environment or under a fume hood to minimize inhalation exposure. Spills should be cleaned up using absorbent materials and the area should be neutralized with an appropriate solution before disposal. Always consult the Safety Data Sheet (SDS) for detailed guidelines and emergency procedures.