5-[[5-(2-chloroethylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carbonyl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid (CHEM346241)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:21:58 UTC | ||||||||
| Update Date | 2026-08-31 15:21:58 UTC | ||||||||
| Accession Number | CHEM346241 | ||||||||
| Identification | |||||||||
| Common Name | 5-[[5-(2-chloroethylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carbonyl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 5-[[5-(2-chloroethylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carbonyl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid has the chemical formula C30H26ClN3O13S4. With an average molecular weight of 800.30 g/mol, 5-[[5-(2-chloroethylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carbonyl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H26ClN3O13S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 799.004 g/mol | ||||||||
| CAS Registry Number | 68156-18-3 | ||||||||
| IUPAC Name | 5-[[5-(2-chloroethylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carbonyl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1C2CC(C1C=C2C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=C(C6=CC=CC=C6C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCCl | ||||||||
| InChI Identifier | InChI=1S/C30H26ClN3O13S4/c31-7-8-48(37,38)24-12-16-9-17(24)11-21(16)30(36)32-23-14-19(49(39,40)41)10-18-13-25(50(42,43)44)27(28(35)26(18)23)34-33-22-6-5-15-3-1-2-4-20(15)29(22)51(45,46)47/h1-6,10-11,13-14,16-17,24,35H,7-9,12H2,(H,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47) | ||||||||
| InChI Key | NIGNDNPGMMFNQP-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
