(±)-Voriconazole

Basic Information

View in Editor

CAS Number

188416-29-7

Molecular Formula

C16H14F3N5O

Molecular Weight

349.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

View in Editor

CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

InChI

InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3

InChIKey

BCEHBSKCWLPMDN-UHFFFAOYSA-N

LogP

2.1769000000000003

Topological Polar Surface Area

76.72 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Synonyms & References

English

(2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
(2S,3R)-rel-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Voriconazole Intermediate IV
2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)- 2-butanol
Voriconazole PI-6
(2R,3R)-Voriconazole
2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyriMidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (RaceMic Voriconazole)

MDL Number

MFCD09263753

FAQ

What regulatory guidelines apply to (±)-Voriconazole (CAS: 188416-29-7)?

(±)-Voriconazole is subject to regulatory guidelines such as GHS classification, which categorizes it as a skin and eye irritant. It is also regulated under REACH in the EU, requiring registration for substances above 1 tonne per year. FDA and EPA guidelines also apply, particularly for its use in pharmaceuticals and environmental release criteria.

Are there alternatives to (±)-Voriconazole (CAS: 188416-29-7) in synthesis?

Alternatives to (±)-Voriconazole include other azole antifungals like posaconazole and itraconazole. In synthesis, isomers and analogs such as (S)- and (R)-Voriconazole can be used. Common alternative reagents include chloroacetyl chloride and acetic anhydride, depending on the specific synthesis pathway.

What is the market or research trend for (±)-Voriconazole (CAS: 188416-29-7)?

The market for (±)-Voriconazole is stable, driven by its use in treating severe fungal infections. Research trends include developing more targeted and less toxic antifungal agents. Market analysis shows a slight decline in usage, possibly due to the emergence of newer, more effective antifungals. However, there is ongoing interest due to its broad-spectrum activity against fungal pathogens.

How should waste containing (±)-Voriconazole (CAS: 188416-29-7) be handled?

Waste containing (±)-Voriconazole should be collected in appropriate lined containers, labeled accordingly. For disposal, it is recommended to use professional waste disposal services, ensuring compliance with local regulations. Incineration or chemical neutralization may be necessary, depending on local disposal methods. Environmental protection measures include proper containment to prevent spillage and contamination of soil and water sources.