Halofuginone
Properties
- Molecular formula
- C16H17BrClN3O3
- Molar mass
- 414.68 g/mol
- Exact mass
- 413.0142 Da
- Melting point
- 192–195 °C
- logP
- 1.88Crippen estimate
- Polar surface area
- 84.2 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 4
- Stereocentres
- S, Rin SMILES atom order
Identifiers
CAS number
55837-20-2SMILES
O=C(C[C@@H]1NCCC[C@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=OInChIKey
LVASCWIMLIKXLA-PVRQQBJHNA-NInChI
InChI=1/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+/s2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-, rel-
- 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, trans-(±)-
- Rel-7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone
- 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, trans-
- Tempostatin
- Kriptazen
Work with Halofuginone
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds