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Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide | CAS No. 871038-72-1

Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide

Basic Information

Chemical_Structure_Of
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CAS Number

871038-72-1

Molecular Formula

C20H20FKN6O5

Molecular Weight

482.51 g/mol

AD

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

Melting Point

282ºC

Density

1.46

SMILES

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Cc1nnc(o1)C(=O)NC(C)(C)[c-]2nc(c(=O)c(=O)n2C)C(=O)NCc3ccc(cc3)F.[K+]

InChI

InChI=1S/C20H20FN6O5.K/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11;/h5-8H,9H2,1-4H3,(H,22,29)(H,24,30);/q-1;+1

InChIKey

XVFRUHSYAKTGIT-UHFFFAOYSA-N

LogP

2.13150

Complexity

843

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

  • Raltegravir potassium
  • N-[(4-Fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxamide potassium salt
  • MK 0518
  • Raltegravir Potassium Salt
  • Raltegravir (potassium salt)
  • Raltegravir Potassiu
  • MK0518 potassium salt
  • MK-0518 potassium salt
  • Raltegravir K
  • Raltegravir(MK-0518)
  • Isentress
  • Raltegravir ( K salt) API
  • AK326594
  • 43Y000U234
  • potassium 4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-olate
  • C20H20FN6O5.K
  • Potassium 4-[{[(4-fluorophenyl)methyl]imino}(hydroxy)methyl]-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl}-6-oxo-1,6-

MDL Number

MFCD10698872

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide (CAS: 871038-72-1)?
Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide is a crystalline compound with a molecular weight of approximately 600 g/mol. It has low water solubility and is moderately soluble in organic solvents. The compound exhibits moderate reactivity and is stable under normal conditions but can react with strong bases or acids. It is not flammable and has a melting point of around 180°C.

How is Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide (CAS: 871038-72-1) typically synthesized?
Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide is synthesized through multi-step reactions involving carbamoylation, alkylation, and oxadiazole formation. The reaction typically requires base catalysis and utilizes appropriate solvents. The yield and selectivity are moderate, and the process is optimized for purity and yield through careful reaction conditions and purification steps.

What industries use Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide (CAS: 871038-72-1)?
Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide is used in the pharmaceutical industry for medicinal applications. It also has potential uses in polymer synthesis as an additive and in sensor technology for its specific chemical reactivity and stability characteristics. Additionally, it may find applications in semiconductor manufacturing due to its specific molecular structure.

What precautions should be taken when handling Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide (CAS: 871038-72-1)?
When handling Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide (CAS: 871038-72-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Handle in a well-ventilated area or fume hood to prevent inhalation. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of spill, clean up using appropriate absorbent materials and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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Supplier Information

WuHanXinWeiYe Chemical Co Ltd

CAS Number: 871038-72-1

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Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

CAS Number: 871038-72-1

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AnZhouShiYiBangYiYao Technology Co Ltd

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Wuhan HuJiu Medicine Technology Co., Ltd.

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Suzhou Senfidala Chemical Co., Ltd.

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Potassium 4-[(4-fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-5,6-dioxo-1,2,5,6-tetrahydropyrimidin-2-ide — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

CAS Number: 871038-72-1

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