1. Primary Information
| English name: | Amitifadine hydrochloride |
| CAS No.: | 410074-74-7 |
| Molecular formula: | C11H12Cl3N |
| Molecular weight: | 264.6 g/mol |
| SMILES: | C1C2C1(CNC2)C3=CC(=C(C=C3)Cl)Cl.Cl |
| Structural class: | |
| Other identifiers: |
1-(3,4-dichlorophenyl)-3-azabicyclo-(3.1.0)hexane hydrochloride amitifadine DOV 21,947 DOV 216,303 DOV 216303 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 2800 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 4800 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1R,5S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
4.2 InChI
InChI=1S/C11H11Cl2N.ClH/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11;/h1-3,8,14H,4-6H2;1H/t8-,11+;/m1./s1
4.3 InChIKey
KAGBHVBIOJBGBD-NINOIYOQSA-N
4.4 Canonical SMILES
C1C2C1(CNC2)C3=CC(=C(C=C3)Cl)Cl.Cl
4.5 Isomeric SMILES
C1[C@H]2[C@@]1(CNC2)C3=CC(=C(C=C3)Cl)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 --
