1. Primary Information
| English name: | Isosulfan Blue |
| CAS No.: | 68238-36-8 |
| Molecular formula: | C27H31N2NAO6S2 |
| Molecular weight: | 566.7 g/mol |
| SMILES: | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
4-(alpha-(p-(diethylamino)phenyl)-(2,5-disulfobenzylidene)-2,5-cyclohexadien-1-ylidene)diethylammonium hydroxide inner salt, sodium salt iso-sulfan blue iso-sulphan blue isosulfan blue Lymphazurin |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 99% | 1600 | 2-8℃，密封保存，易受潮 | in stock | - |
| Kehua Intelligence | 10mg | 99% | 2800 | 2-8℃，密封保存，易受潮 | in stock | - |
| Kehua Intelligence | 25mg | 99% | 5440 | 2-8℃，密封保存，易受潮 | in stock | - |
| Kehua Intelligence | 100mg | 99% | 9600 | 2-8℃，密封保存，易受潮 | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,4-disulfonate
4.2 InChI
InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-19-24(36(30,31)32)17-18-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
4.3 InChIKey
NLUFDZBOHMOBOE-UHFFFAOYSA-M
4.4 Canonical SMILES
CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
4.5 Isomeric SMILES
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