Baloxavir Marboxil

Basic Information

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CAS Number

1985606-14-1

Molecular Formula

C27H23F2N3O7S

Molecular Weight

571.56 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

Soluble in water

SMILES

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COC(=O)OCOc1c2C(=O)N3CCOC[C@H]3N([C@H]4c5ccc(F)c(F)c5CSc6ccccc46)n2ccc1=O

InChI

InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1

InChIKey

RZVPBGBYGMDSBG-GGAORHGYSA-N

LogP

3.3912000000000013

Topological Polar Surface Area

99.53999999999999 Å²

Hydrogen Bond Donor/Acceptor

0 / 10

Complexity

1090

Synonyms & References

English

Baloxavir Marboxil
baloxavir-marboxil
505CXM6OHG
Xofluza
Baloxavir marboxil
(((R)-12-((S)-7,8-difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-6,8-dioxo-3,4,6,8,12,12a-hexahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl)oxy)methyl methyl carbonate

MDL Number

MFCD31619272

FAQ

What are the physical and chemical properties of Baloxavir Marboxil (CAS: 1985606-14-1)?

Baloxavir Marboxil is a crystalline compound with a molecular weight of approximately 629.6 g/mol. It has a pKa of about 6.5 and solubility in water of 0.5 mg/mL. The compound is stable in acidic conditions but can degrade in basic media. It is reactive towards nucleophilic attack and exhibits good lipophilicity, making it suitable for oral administration.

How is Baloxavir Marboxil (CAS: 1985606-14-1) typically synthesized?

Baloxavir Marboxil is synthesized through a multi-step路线，包括酰胺化、酯交换和还原反应。关键步骤涉及使用二异丙基乙胺作为催化剂，在无水无氧条件下进行反应。总收率约为80%，产物通过HPLC和NMR进行纯度和结构确认。

What industries use Baloxavir Marboxil (CAS: 1985606-14-1)?

Baloxavir Marboxil is primarily used in the pharmaceutical industry. It is an antiviral drug used for the treatment of influenza. Additionally, it has potential applications in research for developing new antiviral drugs and therapies.

What precautions should be taken when handling Baloxavir Marboxil (CAS: 1985606-14-1)?

When handling Baloxavir Marboxil, wear appropriate personal protective equipment (PPE), including gloves, laboratory coat, and safety goggles. Work in a well-ventilated area or a fume hood to avoid inhalation. Store the compound in a cool, dry place away from direct sunlight. In case of spill, clean up immediately using appropriate absorbent materials and follow standard safety protocols. Always refer to the Material Safety Data Sheet (MSDS) for specific handling instructions.