1. Primary Information
| English name: | 7-bromo-6-chloro-3-[3-[(3R)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one; 2-hydroxypropanoic acid |
| CAS No.: | 82186-71-8 |
| Molecular formula: | C19H23BRClN3O6 |
| Molecular weight: | 504.8 g/mol |
| SMILES: | CC(C(=O)O)O.C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O |
| Structural class: | |
| Other identifiers: |
(+)-halofuginone (+-)-trans-7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)-acetonyl)-4(3H)-quinazolinone (+-)-trans-7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)-acetonyl)-4(3H)-quinazolinone monohydrobromide (-)-halofuginone (-)-halofuginone hydrobromide |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1ml | 100ug/ml | 1704 | 2-8°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
7-bromo-6-chloro-3-[3-[(3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;2-hydroxypropanoic acid
4.2 InChI
InChI=1S/C16H17BrClN3O3.C3H6O3/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;1-2(4)3(5)6/h5-6,8,14-15,19,23H,1-4,7H2;2,4H,1H3,(H,5,6)/t14?,15-;/m1./s1
4.3 InChIKey
GATQERNJKZPJNX-NUNOUFIPSA-N
4.4 Canonical SMILES
CC(C(=O)O)O.C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
4.5 Isomeric SMILES
CC(C(=O)O)O.C1C[C@H](C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
