1. Primary Information
| English name: | Dabigatran Etexilate |
| CAS No.: | 211915-06-9 |
| Molecular formula: | C34H41N7O5 |
| Molecular weight: | 627.7 g/mol |
| SMILES: | CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4 |
| Structural class: | |
| Other identifiers: |
BIBR 1048 dabigatran dabigatran etexilate dabigatran etexilate mesylate Etexilate Mesylate, Dabigatran |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 120 | -20℃ | in stock | - |
| Kehua Intelligence | 250mg | 99% | 64 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | 99% | 179 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | 99% | 512 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
4.2 InChI
InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)
4.3 InChIKey
KSGXQBZTULBEEQ-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4
4.5 Isomeric SMILES
-
