Isavuconazole intermediate structure, CAS 1286730-01-5

Isavuconazole intermediate

CAS Number1286730-01-5

SynonymsExact Mass 410.053009; InChIKey XGRIDCNJIYGKHE-CPBFHQHQSA-N; Synonyms

Molecular FormulaC13H16F2N4O5S2

Molecular Weight410.417

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Cat. No.: 2A-2195752 Purity:
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Quality Control of [ 1286730-01-5 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number1286730-01-5
Catalog No.2A-2195752
Chinese Name(2R,3R)-3-(2,5-二氟苯基)-3-羟基-2-甲基-4-(1H-1,2,4-三唑-1-基)
SynonymsExact Mass 410.053009; InChIKey XGRIDCNJIYGKHE-CPBFHQHQSA-N; Synonyms
Molecular FormulaC13H16F2N4O5S2
Molecular Weight410.417
Storage Conditionroom temperature
PubChem ID125297271
SMILESCC(C(N)=S)C(O)(Cn1cncn1)c1cc(F)ccc1F.O=S(=O)(O)O
InChIInChI=1S/C13H14F2N4OS.H2O4S/c1-8(12(16)21)13(20,5-19-7-17-6-18-19)10-4-9(14)2-3-11(10)15;1-5(2,3)4/h2-4,6-8,20H,5H2,1H3,(H2,16,21);(H2,1,2,3,4)/t8-,13+;/m0./s1
InChI KeyXGRIDCNJIYGKHE-CPBFHQHQSA-N
Transport InfoProduct name: (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramidesulfate
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