1. Primary Information
| English name: | Raubasine hydrochloride |
| CAS No.: | 4373-34-6 |
| Molecular formula: | C21H25ClN2O3 |
| Molecular weight: | 388.9 g/mol |
| SMILES: | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45.Cl |
| Structural class: | |
| Other identifiers: |
19-epiajmalicine ajmalicine ajmalicine hydrochloride ajmalicine, (19alpha,20alpha)-isomer ajmalicine, (19beta)-isomer |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | HPLC≥95% | 1440 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;hydrochloride
4.2 InChI
InChI=1S/C21H24N2O3.ClH/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3;1H/t12-,15-,16+,19-;/m0./s1
4.3 InChIKey
YWPZOTNKHMBWPD-QAWKRFFXSA-N
4.4 Canonical SMILES
CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45.Cl
4.5 Isomeric SMILES
C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45.Cl
