2-amino-5-[(4-amino-3-sulfophenyl)-(4-imino-3-methyl-5-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonic acid (CHEM322367)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 04:47:18 UTC | ||||||||
| Update Date | 2026-08-30 04:47:18 UTC | ||||||||
| Accession Number | CHEM322367 | ||||||||
| Identification | |||||||||
| Common Name | 2-amino-5-[(4-amino-3-sulfophenyl)-(4-imino-3-methyl-5-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H21N3O9S3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 555.044 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-amino-5-[(4-amino-3-sulfophenyl)-(4-imino-3-methyl-5-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC(=CC(=C1N)S(=O)(=O)O)C(=C2C=C(C(=N)C(=C2)S(=O)(=O)O)C)C3=CC(=C(C=C3)N)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C21H21N3O9S3/c1-10-5-13(8-17(20(10)23)35(28,29)30)19(12-3-4-15(22)16(7-12)34(25,26)27)14-6-11(2)21(24)18(9-14)36(31,32)33/h3-9,23H,22,24H2,1-2H3,(H,25,26,27)(H,28,29,30)(H,31,32,33) | ||||||||
| InChI Key | NHARGRDUFMJVSO-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 | ||||||||
