1. Primary Information
| English name: | Nuclear yellow |
| CAS No.: | 74681-68-8 |
| Molecular formula: | C25H28Cl3N7O2S |
| Molecular weight: | 597.0 g/mol |
| SMILES: | CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)S(=O)(=O)N.Cl.Cl.Cl |
| Structural class: | |
| Other identifiers: |
4-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)benzenesulfonamide trihydrochloride HOE-S769121 Hoechst S 769121 Hoechst S769121 nuclear yellow |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 96% | 2240 | -20°C | in stock | - |
| Kehua Intelligence | 10mg | 96% | 3840 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzenesulfonamide;trihydrochloride
4.2 InChI
InChI=1S/C25H25N7O2S.3ClH/c1-31-10-12-32(13-11-31)18-5-9-21-23(15-18)30-25(28-21)17-4-8-20-22(14-17)29-24(27-20)16-2-6-19(7-3-16)35(26,33)34;;;/h2-9,14-15H,10-13H2,1H3,(H,27,29)(H,28,30)(H2,26,33,34);3*1H
4.3 InChIKey
NZVGXJAQIQJIOY-UHFFFAOYSA-N
4.4 Canonical SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)S(=O)(=O)N.Cl.Cl.Cl
4.5 Isomeric SMILES
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