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(Q82568688)
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English
(2R,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
349.11504472799993
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
ent-voriconazole
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2S,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1,2,4-triazol-1-yl)-2-butanol
1 reference
based on heuristic
inferred from InChI
voriconazole
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₄F₃N₅O
0 references
canonical SMILES
CC(c1ncncc1F)C(O)(Cn1cncn1)c1ccc(F)cc1F
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
0 references
Identifiers
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-/m1/s1
0 references
InChIKey
BCEHBSKCWLPMDN-QLJPJBMISA-N
0 references
CAS Registry Number
137330-52-0
0 references
PubChem CID
42052021
0 references
UniChem compound ID
5571554
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40654662
0 references
DSSTOX compound identifier
DTXCID40605412
0 references
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