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Substance Name: Isavuconazonium sulfate [USAN]
RN: 946075-13-4
UNII: 31Q44514JV
InChIKey: LWXUIUUOMSMZKJ-KLFWAVJMSA-M

Note

  • Prodrug of BAL4815.

Molecular Formula

  • C35-H35-F2-N8-O5-S.H-O4-S

Molecular Weight

  • 814.8444
 

Names and Synonyms

Name of Substance

  • Isavuconazonium sulfate [USAN]

Synonyms

  • 1-((2R,3R)-3-(4-(4-Cyanophenyl)-1,3-thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-((1RS)-1-((methyl(3-((((methylamino)acetyl)oxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium monosulfate
  • BAL-8557-002
  • Cresemba
  • Glycine, N-methyl-, (2-(((1-(1-((2R,3R)-3-(4-(4-cyanophenyl)-2-thiazolyl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4H-1,2,4-triazolium-4-yl)ethoxy)carbonyl)methylamino)-3-pyridinyl)methyl ester, sulfate (1:1)
  • Isavuconazonium sulfate
  • Isavuconazonium sulfate [USAN]
  • UNII-31Q44514JV

Registry Numbers

CAS Registry Number

  • 946075-13-4

FDA UNII

  • 31Q44514JV

System Generated Number

  • 0946075134

Structure Descriptors

InChI

1S/C35H35F2N8O5S.H2O4S/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;1-5(2,3)4/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1/t22-,23?,35+;/m0./s1

InChIKey

LWXUIUUOMSMZKJ-KLFWAVJMSA-M

Smiles

C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](Cn3c[n+](cn3)C(C)OC(=O)N(C)c4c(cccn4)COC(=O)CNC)(c5cc(ccc5F)F)O.OS(=O)(=O)[O-]