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Halofuginone
SpectraBase Compound ID 2ojnXPpDzV6
InChI InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2
InChIKey LVASCWIMLIKXLA-UHFFFAOYSA-N
Mol Weight 414.69 g/mol
Molecular Formula C16H17BrClN3O3
Exact Mass 413.014182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3reVSaFewcZ
Name Halofuginone
Alternate Name(s) 7-Bromanyl-6-chloranyl-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazolin-4-one 7-Bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-4-quinazolinone 7-Bromo-6-chloro-3-[3-(3-hydroxy-2-piperidyl)-2-keto-propyl]quinazolin-4-one 7-Bromo-6-chloro-3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]quinazolin-4-one 7-Bromo-6-chloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one
CAS Registry Number 55837-20-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrClN3O3
InChI InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2
InChIKey LVASCWIMLIKXLA-UHFFFAOYSA-N
Molecular Weight 414.687 g/mol
SMILES N1C(C(CCC1)O)CC(CN1C=Nc2cc(c(cc2C1=O)Cl)Br)=O
SPLASH splash10-007c-0963000000-f6a35584963c01874ebb
Source of Spectrum JC-441-413-4
Wiley ID 1374943