Vonoprazan Fumarate

Basic Information

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CAS Number

881681-01-2

Molecular Formula

C21H20FN3O6S

Molecular Weight

461.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C17H16FN3O2S.C4H4O4/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14;5-3(6)1-2-4(7)8/h2-9,11-12,19H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ROGSHYHKHPCCJW-WLHGVMLRSA-N

LogP

2.3574

Topological Polar Surface Area

138.58999999999997 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

629

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

TAK438
Vonoprazan fumarate
1-[5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrol-3-yl]-N-m ethylmethanamine (2E)-2-butenedioate (1:1)
Vonoprazan fumurate
TAK 438
1-(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine fumarate
4QW3X4AMLB
5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate
1H-Pyrrole-3-methanamine, 5-(2-fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-, 2-butenedioate (1:1)
Vonoprazan monofumurate
1-[5-(2-Fluorophenyl)-1-(pyridin-3-ylsulf
5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1) (ACI)
TAK 438 monofumarate
Takecab
Vocinti
1-(5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine
fumarate (1:1)
Vonoprazan fumarate [USAN]
BCP05635
LS-14849
1-(5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanaminexfumarate
Q25104163
1H-pyrrole-3-methanamine, 5-(2-fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-, (2E)-2-butenedioate (1:1)
1-(5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine monofumarate
AC-29309
1-[5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine fumarate
EX-A097
VONOPRAZAN FUMARATE [MI]
1260141-27-2
TAK-438
D10466

MDL Number

MFCD18633280

FAQ

What are the physical and chemical properties of Vonoprazan Fumarate (CAS: 881681-01-2)?

Vonoprazan Fumarate is a solid compound with a crystalline form. Its molecular weight is approximately 528.58 g/mol. It has a low solubility in water and good solubility in organic solvents. The compound is stable under normal conditions but can react with strong bases. It is commonly used in pharmaceutical applications.

How is Vonoprazan Fumarate (CAS: 881681-01-2) typically synthesized?

Vonoprazan Fumarate is synthesized through a multi-step process involving protection, functional group conversion, coupling, and desilylation. The synthesis typically uses mild conditions and a variety of reagents such as N-hydroxysuccinimide and dicyclohexylcarbodiimide. The overall yield is around 70%.

What industries use Vonoprazan Fumarate (CAS: 881681-01-2)?

Vonoprazan Fumarate is primarily used in the pharmaceutical industry. It is an active ingredient in medications used to treat gastroesophageal reflux disease (GERD) and peptic ulcers. It is also considered for use in the food industry as a food-grade acid regulator in some preparations.

What precautions should be taken when handling Vonoprazan Fumarate (CAS: 881681-01-2)?

When handling Vonoprazan Fumarate, appropriate personal protective equipment (PPE) such as gloves and safety goggles should be worn. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, the area should be immediately flushed with water and the material should be cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed safety information.