2-[[c-[4-(2-chloroethylsulfonyl)phenyl]-n-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid (CHEM342507)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 10:07:05 UTC | ||||||||
| Update Date | 2026-08-31 10:07:05 UTC | ||||||||
| Accession Number | CHEM342507 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[c-[4-(2-chloroethylsulfonyl)phenyl]-n-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H29ClN6O18S5 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 919.983 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[[c-[4-(2-chloroethylsulfonyl)phenyl]-n-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N=NC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)CCCl | ||||||||
| InChI Identifier | InChI=1S/C27H29ClN6O18S5/c28-7-10-54(41,42)17-3-1-16(2-4-17)25(33-31-21-13-18(55(43,44)45)5-6-20(21)26(36)37)34-32-23-15-19(56(46,47)48)14-22(24(23)35)30-27(38)29-8-11-53(39,40)12-9-52-57(49,50)51/h1-6,13-15,32,35H,7-12H2,(H,36,37)(H2,29,30,38)(H,43,44,45)(H,46,47,48)(H,49,50,51) | ||||||||
| InChI Key | OSGZDWOSFQHMQK-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 | |||||||||
| 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 | ||||||||
