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Voriconazole

CAT: 0931-T0120-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T0120-06Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137234-62-9
Target
Antifungal, Antifection, Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9991
Bioactivity
Voriconazole (UK-109496) is a triazole antifungal agent that specifically inhibits STEROL 14-ALPHA-DEMETHYLASE and CYTOCHROME P-450 [CYP3A].
Smiles
CC(C1=NC=NC=C1F)C(O)(CN1C=NC=N1)C1=CC=C(F)C=C1F
Molecular Formula
C16H14F3N5O
Molecular Weight
349.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Voriconazole

Voriconazole is a triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4. It has a role as a P450 inhibitor. It is a tertiary alcohol, a difluorobenzene, a member of pyrimidines, a conazole antifungal drug and a triazole antifungal drug.

CAS Number137234-62-9
PubChem CID71616
IUPAC Name(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Molecular FormulaC16H14F3N5O
Molecular Weight349.31
XLogP1.5
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity448
SMILES
C[C@@H](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
Chemical Structure
2D Structure
2D structure of Voriconazole
CAS: 137234-62-9
CID: 71616
Formula: C16H14F3N5O
MW: 349.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.31
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass349.11504457
Monoisotopic Mass349.11504457
Topological Polar Surface Area76.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A4320-5.1Voriconazole
TRC-V759995-1G(±)-Voriconazole
PC110423(±) -Voriconazole

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