Isavuconazole

CAS Registry Number®

241479-67-4
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CAS Name

Isavuconazole

Molecular Formula

C22H17F2N5OS

Molecular Mass

437.47

Cite this Page

Isavuconazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=241479-67-4 (retrieved 2024-04-18) (CAS RN: 241479-67-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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+/m0/s1

InChIKey

InChIKey=DDFOUSQFMYRUQK-RCDICMHDSA-N

SMILES

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

Canonical SMILES

N#CC=1C=CC(=CC1)C=2N=C(SC2)C(C)C(O)(C3=CC(F)=CC=C3F)CN4N=CN=C4

Other Names for this Substance

  • Benzonitrile, 4-[2-[(1R,2R)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-
  • 4-[2-[(1R,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile
  • 1-[(2R,3R)-3-[4-(4-Cyanophenyl)thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazole
  • RO 0094815
  • (2R,3R)-3-[4-(4-Cyanophenyl)thiazol-2-yl]-2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

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Deleted or Replaced CAS Registry Numbers

672948-06-0

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