2D structurePubChem CID 71616
Identita
Voriconazole
CAS 137234-62-9 · C16H14F3N5O
01Identita
| Lazychem ID | LC-100807 |
|---|---|
| CAS RN | 137234-62-9 |
| PubChem CID | 71616 |
| Molecular formula | C16H14F3N5O |
| Molecular weight | 349.31 g/mol |
| IUPAC name | (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol |
| InChIKey | BCEHBSKCWLPMDN-MGPLVRAMSA-N |
02Struktura a stereochemie
2D structurePubChem CID 71616
| SMILES | C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O |
|---|---|
| InChI | Neuvedeno |
03Stereochemistry
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction
Published same-connectivity configurations
5 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 42052020
(2S,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CAS not listed
BCEHBSKCWLPMDN-QFYYESIMSA-N
2 defined, 0 unassigned centres
2D structurePubChem CID 15230631
Voriconazole EP Impurity D/ Voriconazole Related Compound B/ Voriconazole Enantiomer
CAS 137234-63-0
BCEHBSKCWLPMDN-HWPZZCPQSA-N
2 defined, 0 unassigned centres
2D structurePubChem CID 5231054
Voriconazole Related Compound A
CAS 182230-43-9
BCEHBSKCWLPMDN-UHFFFAOYSA-N
0 defined, 2 unassigned centres
2D structurePubChem CID 42052021
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Stav v Indii
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Názvy a vztahy
API a mateřské léčivo
Neuvedeno
Názvy a vztahy
- Vfend
- (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
- UK-109496
- Voriconazol
- Voriconazolum
- JFU09I87TR
- (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
06Zdroje
- S01PubChem CID 71616
Structure and machine-readable chemical identifiers.