1. Primary Information
| English name: | - |
| CAS No.: | 148849-67-6 |
| Molecular formula: | - |
| Molecular weight: | - g/mol |
| SMILES: | - |
| Structural class: | |
| Other identifiers: |
7,8-dimethoxy-3-(3-(((4,5-dimethoxybenzocyclobutan-1-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-2H-benzazepin-2-one Corlanor ivabradine S 16257 S 16257 2 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 120 | RT | in stock | - |
| Kehua Intelligence | 100mg | ≥98% | 60 | RT | in stock | - |
| Kehua Intelligence | 250mg | ≥98% | 112 | RT | in stock | - |
| Kehua Intelligence | 1g | ≥98% | 296 | RT | in stock | - |
| Kehua Intelligence | 5g | ≥98% | 1280 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
4.2 InChI
InChI=1S/C27H36N2O5.ClH/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30;/h12-14,16,21H,6-11,15,17H2,1-5H3;1H/t21-;/m1./s1
4.3 InChIKey
HLUKNZUABFFNQS-ZMBIFBSDSA-N
4.4 Canonical SMILES
CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CC3CC4=CC(=C(C=C34)OC)OC.Cl
4.5 Isomeric SMILES
CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC.Cl
