(2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol | CAS No. 137234-62-9

(2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Basic Information

CAS Number

137234-62-9

Molecular Formula

C16H14F3N5O

Molecular Weight

349.32 g/mol

AD

Basic Physical Properties

Melting Point

130.0 to 134.0 deg-C

Boiling Point

~508.6° C at 760 mmHg

Density

1.4000

Flash Point

9℃

Solubility

DMSO: >20mg/mL

Refractive Index

1.616

Specific Rotation

-56.0° - -62.0° (c=1, MeOH)

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/t10-,16+/m0/s1

InChIKey

BCEHBSKCWLPMDN-MGPLVRAMSA-N

LogP

2.1769

Topological Polar Surface Area

76.72 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

448

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H351 Suspected of causing cancer
Carcinogenicity
H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity
H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure
H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • BCEHBSKCWLPMDN-MGPLVRAMSA-N
  • VORICONAZOLE [MI]
  • Voriconazole, United States Pharmacopeia (USP) Reference Standard
  • Voriconazole
  • CPD000466350
  • UNII-USG4B1CD29
  • AC-823
  • Voriconazole [USAN:INN:BAN]
  • Voriconazole, VETRANAL(TM), analytical standard
  • NCGC00260835-01
  • VORICONAZOLE [USP-RS]
  • A807215
  • Voriconazole, >=98% (HPLC)
  • NS00007182
  • Voriconazole in combination with MGCD290
  • C07622
  • Voriconazole Vfend
  • CHEBI:10023
  • (.ALPHA.R,.BETA.S)-A-(2,4-DIFLUOROPHENYL)-5-FLUORO-.BETA.-METHYL-.ALPHA.-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-4-PYRIMIDINEETHANOL
  • 2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl) butan-2-ol
  • 4-[[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]methylene]-1-oxo-1,3-thiazolidin-5-one
  • 188416-29-7
  • CS-1227
  • EN300-119515
  • C16H14F3N5O
  • (alphaR,betaS)-alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
  • SMR000466350
  • VORICONAZOLE [WHO-DD]
  • DTXCID3026485
  • J-006986
  • (2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

MDL Number

MFCD00905717

Customs Code

2933990090

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