1. Primary Information
| English name: | Chloro-APB hydrobromide |
| CAS No.: | 74115-01-8 |
| Molecular formula: | C19H21BRClNO2 |
| Molecular weight: | 410.7 g/mol |
| SMILES: | C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Cl.Br |
| Structural class: | |
| Other identifiers: |
6-chloro-7,8-dihydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine Cl-APB SK and F 82958 SK and F-82958 SKF 82958 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 99% | 792 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 99% | 1280 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25mg | 99% | 2560 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | 99% | 4640 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide
4.2 InChI
InChI=1S/C19H20ClNO2.BrH/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13;/h2-7,11,16,22-23H,1,8-10,12H2;1H
4.3 InChIKey
WLXGFAVTAAQOFH-UHFFFAOYSA-N
4.4 Canonical SMILES
C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Cl.Br
4.5 Isomeric SMILES
-
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 --
