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isavuconazole

PropertiesImage
MNX_IDMNXM156888 Image of MNXM156888
referencechebi:85979
formulaC22H17F2N5OS
global charge0
mol weight437.475
InChIKeyDDFOUSQFMYRUQK-RCDICMHDSA-N
InChIInChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1
SMILESC[C@@H](C1=NC(C2=CC=C(C#N)C=C2)=CS1)[C@](O)(CN1C=NC=N1)C1=CC(F)=CC=C1F
MNX internals
InChI (mnx)InChI=1/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1 Image of MNXM156888
SMILES (mnx)[CH3:1][C@@H:14]([C:21]1=[N:28][C:20]([C:16]2=[CH:5][CH:3]=[C:15]([C:9]#[N:25])[CH:2]=[CH:4]2)=[CH:10][S:31]1)[C@:22]([CH2:11][N:29]1[CH:13]=[N:26][CH:12]=[N:27]1)([C:18]1=[C:19]([F:24])[CH:7]=[CH:6][C:17]([F:23])=[CH:8]1)[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85979
chebi:85979
DDFOUSQFMYRUQK-RCDICMHDSA-N 		isavuconazole
4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
BAL 4815
isavuconazol
isavuconazolum

kegg.drug:D10750
keggD:D10750
DDFOUSQFMYRUQK-RCDICMHDSA-N 		Isavuconazole (INN)
ABBR ISA
Cresemba (TN)
hmdb:HMDB0253593
DDFOUSQFMYRUQK-UHFFFAOYSA-N 		Isavuconazole
4-{2-[3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
4-{2-[3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

keggD:M_D10750 		secondary/obsolete/fantasy identifier