1. Primary Information
| English name: | PX-478 2HCl |
| CAS No.: | 685898-44-6 |
| Molecular formula: | C13H20Cl4N2O3 |
| Molecular weight: | 394.1 g/mol |
| SMILES: | C1=CC(=CC=C1CC(C(=O)O)N)[N+](CCCl)(CCCl)[O-].Cl.Cl |
| Structural class: | |
| Other identifiers: |
2-amino-3-(4'-N,N-bis(2-chloroethyl)amino)phenylpropionic acid N-oxide PX 478 PX-478 PX478 cpd S-2-amino-3-(4'-N,N-bis(2-chloroethyl)amino)phenylpropionic acid N-oxide dihydrochloride |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 486 | 2-8℃，氮气保存 | in stock | - |
| Kehua Intelligence | 10mg | 98% | 896 | 2-8℃，氮气保存 | in stock | - |
| Kehua Intelligence | 25mg | 98% | 1280 | 2-8℃，氮气保存 | in stock | - |
| Kehua Intelligence | 100mg | 98% | 3520 | 2-8℃，氮气保存 | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-[(2S)-2-amino-2-carboxyethyl]-N,N-bis(2-chloroethyl)benzeneamine oxide;dihydrochloride
4.2 InChI
InChI=1S/C13H18Cl2N2O3.2ClH/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;;/h1-4,12H,5-9,16H2,(H,18,19);2*1H/t12-;;/m0../s1
4.3 InChIKey
GIGCDIVNDFQKRA-LTCKWSDVSA-N
4.4 Canonical SMILES
C1=CC(=CC=C1CC(C(=O)O)N)[N+](CCCl)(CCCl)[O-].Cl.Cl
4.5 Isomeric SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)[N+](CCCl)(CCCl)[O-].Cl.Cl
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
