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| CAS No.: | 64924-67-0 |
|---|---|
| Name: | Halofuginone hydrobromide |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C16H17BrClN3O3.HBr |
| Molecular Weight: | 495.598 |
| Synonyms: | HALOFUGINONEHYDROBROMIDE;STENOROL;7-Bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one hydrobromide;(+/-)-trans-7-Bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)-acetonyl)-4(3H)-quinazolinone monohydrobromide;4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-, monohydrobromide, rel-;4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, hydrobromide, trans-(+-)-;4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, hydrobromide, trans-(+/-)-;Ru-19110 |
| Melting Point: | 247° (dec) |
| Boiling Point: | 595.8 °C at 760 mmHg |
| Flash Point: | 314.1 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 84.22000 |
| LogP: | 3.17140 |
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Specification
The Halofuginone hydrobromide ,its cas register number is 64924-67-0.It also can be called as 7-Bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one hydrobromide and the IUPAC name about this chemical is 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one hydrobromide .Following are the chemical properties about this chemicals:(1)Enthalpy of Vaporization: 93.36 kJ/mol ; (2)Vapour Pressure: 4.84E-15 mmHg at 25°C .Classification Code about it is Antiprotozoal .It is a white to off-white powder and can be used as a additive feed anticoccidial agent, also it can treat theileriosis.
Preparation about Halofuginone hydrobromide : As the 3-bromo-4-chloro-6-carboxy aniline to be raw material, in dimethylformamide, it react with formamide to synthesize 7-bromo-6-chloro-4(3H) quinoline oxazolone, and then condensatize with 3-methoxy-2-(γ Bromo acetone) piperazine to get Halofuginone hydrobromide .
This chemicals can be described computed from structure:
(1)Canonical SMILES: C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O.Br
(2)Isomeric SMILES: C1C[C@H]([C@@H](NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O.Br
(3)InChI: InChI=1S/C16H17BrClN3O3.BrH/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;1H/t14-,15+;/m0./s1
(4)InChIKey: SJUWEPZBTXEUMU-LDXVYITESA-N