Halofuginone

enlarge

Systematic / IUPAC Name: 7-Bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl}-4(3H)-quinazolinone

ID: Reference4898

Other Names: Halofunginone;
Tempostatin;
4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-, rel-;
7-Bromo-6-chloro-3-(3-((2R,3S)-rel-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one;
7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one

Formula: C16H17BrClN3O3

Spectral Data

Halofuginone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 210
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/24/2016 12:07:06 PM
View Mass Spec Data > >

Identificators

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/t14-,15+/m1/s1
InChI Key LVASCWIMLIKXLA-CABCVRRESA-N
Canonical SMILES C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
CAS
Splash
Other Names Halofunginone;
Tempostatin;
4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-, rel-;
7-Bromo-6-chloro-3-(3-((2R,3S)-rel-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one;
7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one;
7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one

In Other Databases

ChEMBL CHEMBL1199540
Wikipedia Halofuginone
PubChem 456390
ChemSpider 401856