Analyte Name

cis-Halofuginone

CAS Number

1273594-72-1

Molecular Formula

C16H17BrClN3O3

Molecular Weight

414.68148

Accurate Mass

413.0142

SMILES

OC1(CN2C=Nc3cc(Br)c(Cl)cc3C2=O)C[C@@H]4NCCC[C@@H]4O1 |o1:17,22|

InChI

InChI=1S/C16H17BrClN3O3/c17-10-5-12-9(4-11(10)18)15(22)21(8-20-12)7-16(23)6-13-14(24-16)2-1-3-19-13/h4-5,8,13-14,19,23H,1-3,6-7H2/t13-,14-,16?/m0/s1

IUPAC

7-bromo-6-chloro-3-[[rel-(3aS,7aS)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one

Country of Origin

CANADA

Product Format

Neat