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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H12F2N4O
Molecular Weight 278.2574
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile, (2S,3R)-

SMILES

C[C@@H](C#N)[C@](O)(CN1C=NC=N1)C2=C(F)C=C(F)C=C2

InChI

InChIKey=ZURMGBIMFHVPNC-TVQRCGJNSA-N
InChI=1S/C13H12F2N4O/c1-9(5-16)13(20,6-19-8-17-7-18-19)11-3-2-10(14)4-12(11)15/h2-4,7-9,20H,6H2,1H3/t9-,13+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile, (2S,3R)-
Systematic Name English
Isavuconazole Impurity 4
Common Name English
(αS,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanenitrile
Systematic Name English
1H-1,2,4-Triazole-1-butanenitrile, β-(2,4-difluorophenyl)-β-hydroxy-α-methyl-, (αS,βR)-
Systematic Name English
1H-1,2,4-Triazole-1-butanenitrile, β-(2,4-difluorophenyl)-β-hydroxy-α-methyl-, [R-(R*,S*)]-
Systematic Name English
(2S,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile
Systematic Name English
Code System Code Type Description
CAS
170862-36-9
Created by admin on Sat Dec 16 19:34:45 GMT 2023 , Edited by admin on Sat Dec 16 19:34:45 GMT 2023
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PUBCHEM
9860445
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
RW9C9R5JXT
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