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Voriconazole-d3

CAT: 0572-TRC-V760002-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V760002-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217661-14-7
Synonyms
(αR,βS)-α-(2,4-Difluorophenyl)-5-fluoro-β-(methyl-d3)-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; DRG 0301; UK-109496-d3; VRC-d3; Vfend-d3; Voriconazol-d3
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])[C@@H](c1ncncc1F)[C@](O)(Cn2cncn2)c3ccc(F)cc3F
Molecular Formula
C16 2H3 H11 F3 N5 O
Molecular Weight
352.33
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/i1D3
Additionnal Information
IUPAC name: (2R,3S)-4,4,4-trideuterio-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Voriconazole-d3
CAS Number1217661-14-7
PubChem CID46783259
IUPAC Name(2R,3S)-4,4,4-trideuterio-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Molecular FormulaC16H14F3N5O
Molecular Weight352.33
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
[2H]C([2H])([2H])[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/i1D3
InChIKey
BCEHBSKCWLPMDN-QLWAGJNOSA-N
Chemical Structure
2D Structure
2D structure of Voriconazole-d3
CAS: 1217661-14-7
CID: 46783259
Formula: C16H14F3N5O
MW: 352.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.33
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass352.13387481
Monoisotopic Mass352.13387481
Topological Polar Surface Area76.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity448
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-V180317-01Voriconazole-d3
HY-139688S-01(±) -Voriconazole-d3
AR-V01827-01(+-) -Voriconazole-d3
CS-C-01312(±) -Voriconazole-d3 (difluorophenyl-d3)
HY-W754411Rac-Voriconazole-d3
BAA31496-01Ent-Voriconazole-d3
MBS6088572-01Voriconazole-d3 N-Oxide
AR-V01835-01Voriconazole-N-Oxide-d3
HY-137989SVoriconazole N-oxide-d3
TMIJ-0188-01(±) -Voriconazole-d3 (Mixture of Enantiomers)

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