1. Primary Information
| English name: | 1-(L-phenylalanyl)-3,5-bis(3,4-dichlorobenzylidene)piperidin-4-one hydrochloride |
| CAS No.: | 1617495-03-0 |
| Molecular formula: | C28H23Cl5N2O2 |
| Molecular weight: | 596.8 g/mol |
| SMILES: | C1C(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)CN1C(=O)C(CC4=CC=CC=C4)N.Cl |
| Structural class: | |
| Other identifiers: |
3,5-bis(3,4-dichlorobenzylidene)-1-(S-2-amino-3-phenyl)-piperidin-4-one, HCl RA190 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 640 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1024 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 1536 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 2880 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3Z,5Z)-1-[(2S)-2-amino-3-phenylpropanoyl]-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one;hydrochloride
4.2 InChI
InChI=1S/C28H22Cl4N2O2.ClH/c29-22-8-6-18(12-24(22)31)10-20-15-34(28(36)26(33)14-17-4-2-1-3-5-17)16-21(27(20)35)11-19-7-9-23(30)25(32)13-19;/h1-13,26H,14-16,33H2;1H/b20-10-,21-11-;/t26-;/m0./s1
4.3 InChIKey
UMWXLEVUBFNYIK-VCCJZKHWSA-N
4.4 Canonical SMILES
C1C(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)CN1C(=O)C(CC4=CC=CC=C4)N.Cl
4.5 Isomeric SMILES
C\1N(C/C(=C/C2=CC(=C(C=C2)Cl)Cl)/C(=O)/C1=C\C3=CC(=C(C=C3)Cl)Cl)C(=O)[C@@H](N)CC4=CC=CC=C4.Cl
