1. Primary Information
| English name: | Bisbenzimide ethoxide trihydrochloride |
| CAS No.: | 875756-97-1 |
| Molecular formula: | C27H31Cl3N6O |
| Molecular weight: | 561.9 g/mol |
| SMILES: | CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C.Cl.Cl.Cl |
| Structural class: | |
| Other identifiers: |
2,5'-bi-1h-benzimidazole, 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-, trihydrochloride bisbenzimide ethoxide trihydrochloride bisbenzimide h 33342 H33342 HOE 33342 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | 99% | 320 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 99% | 792 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
4.2 InChI
InChI=1S/C27H28N6O.3ClH/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33;;;/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31);3*1H
4.3 InChIKey
JABNPSKWVNCGMX-UHFFFAOYSA-N
4.4 Canonical SMILES
CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C.Cl.Cl.Cl
4.5 Isomeric SMILES
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