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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H17F2N5OS
Molecular Weight 437.465
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[2-[(1S,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile

SMILES

C[C@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](O)(CN3C=NC=N3)C4=C(F)C=CC(F)=C4

InChI

InChIKey=DDFOUSQFMYRUQK-JLCFBVMHSA-N
InChI=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-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H17F2N5OS
Molecular Weight 437.465
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:34:45 GMT 2023
Edited
by admin
on Sat Dec 16 19:34:45 GMT 2023
Record UNII
B24ULD3D8X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[2-[(1S,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile
Systematic Name English
Benzonitrile, 4-[2-[(1S,2R)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-
Systematic Name English
Isavuconazole Impurity 24
Common Name English
Code System Code Type Description
CAS
1176988-44-5
Created by admin on Sat Dec 16 19:34:45 GMT 2023 , Edited by admin on Sat Dec 16 19:34:45 GMT 2023
PRIMARY
PUBCHEM
9932792
Created by admin on Sat Dec 16 19:34:45 GMT 2023 , Edited by admin on Sat Dec 16 19:34:45 GMT 2023
PRIMARY
FDA UNII
B24ULD3D8X
Created by admin on Sat Dec 16 19:34:45 GMT 2023 , Edited by admin on Sat Dec 16 19:34:45 GMT 2023
PRIMARY