4-amino-6-[[6-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid (CHEM346217)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:19:38 UTC | ||||||||
| Update Date | 2026-08-31 15:19:38 UTC | ||||||||
| Accession Number | CHEM346217 | ||||||||
| Identification | |||||||||
| Common Name | 4-amino-6-[[6-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-amino-6-[[6-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid has the chemical formula C30H25ClN4O14S4. With an average molecular weight of 829.30 g/mol, 4-amino-6-[[6-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H25ClN4O14S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 827.994 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-amino-6-[[6-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC3=C(C=C(C(=C3C=C2)N=NC4=C(C5=C(C=C4)C(=CC(=C5N)S(=O)(=O)O)S(=O)(=O)O)O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C30H25ClN4O14S4/c31-9-10-50(39,40)14-15-1-3-16(4-2-15)30(38)33-17-5-6-18-20(11-17)23(51(41,42)43)12-22(36)28(18)35-34-21-8-7-19-24(52(44,45)46)13-25(53(47,48)49)27(32)26(19)29(21)37/h1-8,11-13,36-37H,9-10,14,32H2,(H,33,38)(H,41,42,43)(H,44,45,46)(H,47,48,49) | ||||||||
| InChI Key | XLIWCUMAMDNRLT-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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
