CAS: 742049-41-8 - 1-[(2R,3R)-3-[4-(4-Cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[methyl[3-[[[2-(methylamino)acetyl]oxy]methyl]-2-pyridinyl]amino]carbonyl]oxy]ethyl]-4H-1,2,4-triazolium

Formula:C₃₅H₃₅F₂N₈O₅S

InChI:InChI=1S/C35H35F2N8O5S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3/q+1/t22-,23?,35+/m0/s1

InChI key:InChIKey=RSWOJTICKMKTER-QXLBVTBOSA-N

SMILES:N#CC=1C=CC(=CC1)C=2N=C(SC2)C(C)C(O)(C3=CC(F)=CC=C3F)CN4N=C[N+](=C4)C(OC(=O)N(C5=NC=CC=C5COC(=O)CNC)C)C

Synonyms:
Isavuconazonium
4H-1,2,4-Triazolium, 1-[(2R,3R)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[methyl[3-[[[2-(methylamino)acetyl]oxy]methyl]-2-pyridinyl]amino]carbonyl]oxy]ethyl]-
BAL 8557-000
1-[(2R,3R)-3-[4-(4-Cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[methyl[3-[[[2-(methylamino)acetyl]oxy]methyl]-2-pyridinyl]amino]carbonyl]oxy]ethyl]-4H-1,2,4-triazolium
Glycine, N-methyl-, [2-[[[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1H-1,2,4-triazolium-4-yl]ethoxy]carbonyl]methylamino]-3-pyridinyl]methyl ester