(3R,5S)Posaconazole

Basic Information

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CAS Number

1229428-90-3

Molecular Formula

C37H42F2N8O4

Molecular Weight

700.79 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

Melting Point

Boiling Point

SMILES

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C(N1N=CN=C1)[C@]1(C2C=CC(F)=CC=2F)OC[C@@H](COC2C=CC(N3CCN(C4C=CC(N5C=NN([C@H](CC)[C@@H](O)C)C5=O)=CC=4)CC3)=CC=2)C1

InChI

1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35+,37+/m0/s1

InChIKey

RAGOYPUPXAKGKH-KTRXSZHWSA-N

LogP

4.573200000000004

Topological Polar Surface Area

115.70000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 12

Safety Information

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Hazard Statement

Synonyms & References

English

(R)-4-benzyl-3-((3S,5R)-5-(2,4-difluorophenyl)-5-(iodomethyl)tetrahydrofuran-3-carbonyl)oxazolidin-2-one
Posacozole Diastereoisomer 5 (S,R,R,S)
Posaconazole Diastereoisomer 5 (S,R,R,S)
(3R,5S,2S,3R)-posaconazole
Posaconazole Diastereoisomer 13
Posaconazole Impurity 22
(R)-1-((2-(2,4-difluorophenyl)-4-methyl-2,5-dihydrofuran-2-yl)methyl)-1H-1,2,4-triazole
D-erythro-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1R,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-
Posaconazole Diastereoisomer

FAQ

What regulatory guidelines apply to (3R,5S)Posaconazole (CAS: 1229428-90-3)?

(3R,5S)Posaconazole is regulated under GHS classification for health hazards and environmental hazards. Under REACH regulations, it falls under the category of substances of very high concern (SVHC) due to its antifungal properties. FDA and EPA have specific requirements for its import, use, and disposal, including reporting and record-keeping for any potential environmental releases.

Are there alternatives to (3R,5S)Posaconazole in synthesis?

There are several isomers and analogs of (3R,5S)Posaconazole used in synthesis, such as (3S,5R)-epoxyposaconazole and (3S,5S)-epoxyposaconazole. Common alternative reagents include azoles like fluconazole and itraconazole, which can serve as starting materials or intermediates in the synthesis of posaconazole. However, these alternatives may require different reaction conditions and may not be as effective as posaconazole in certain applications.

What is the market or research trend for (3R,5S)Posaconazole (CAS: 1229428-90-3)?

The market for (3R,5S)Posaconazole is growing due to its broad-spectrum antifungal activity and its use in treating fungal infections, particularly in immunocompromised patients. Research trends focus on improving its efficacy and safety, exploring its use in combination therapies, and developing new formulations. Price trends indicate a steady increase as demand continues to rise, driven by its critical role in antifungal treatment and emerging drug-resistant fungal infections.

How should waste containing (3R,5S)Posaconazole (CAS: 1229428-90-3) be handled?

Waste containing (3R,5S)Posaconazole should be collected in appropriate containers, labeled with the chemical name and CAS number. It should be stored in a secure, well-ventilated area away from ignition sources. For disposal, professional waste disposal services are recommended to ensure compliance with local regulations. Incineration is a common method for waste disposal, but it should be conducted in a controlled environment to minimize environmental impact. Environmental protection precautions include ensuring that no waste is released into the environment and that all disposal activities are documented.