5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[(z)-[(2-hydroxy-3,5-disulfophenyl)diazenyl]-(6-sulfocyclohexa-2,4-dien-1-ylidene)methyl]diazenyl]benzoic acid (CHEM330346)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 16:09:40 UTC | ||||||||
| Update Date | 2026-08-30 16:09:40 UTC | ||||||||
| Accession Number | CHEM330346 | ||||||||
| Identification | |||||||||
| Common Name | 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[(z)-[(2-hydroxy-3,5-disulfophenyl)diazenyl]-(6-sulfocyclohexa-2,4-dien-1-ylidene)methyl]diazenyl]benzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[(z)-[(2-hydroxy-3,5-disulfophenyl)diazenyl]-(6-sulfocyclohexa-2,4-dien-1-ylidene)methyl]diazenyl]benzoic acid is a chemical compound with the formula C23H18ClN9O12S3. With an average molecular weight of 744.10 g/mol, 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[(z)-[(2-hydroxy-3,5-disulfophenyl)diazenyl]-(6-sulfocyclohexa-2,4-dien-1-ylidene)methyl]diazenyl]benzoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C23H18ClN9O12S3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 742.993 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[(z)-[(2-hydroxy-3,5-disulfophenyl)diazenyl]-(6-sulfocyclohexa-2,4-dien-1-ylidene)methyl]diazenyl]benzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC(C(=C(N=NC2=C(C=C(C=C2)NC3=NC(=NC(=N3)N)Cl)C(=O)O)N=NC4=C(C(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)O)C=C1)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C23H18ClN9O12S3/c24-21-27-22(25)29-23(28-21)26-10-5-6-14(13(7-10)20(35)36)30-32-19(12-3-1-2-4-16(12)47(40,41)42)33-31-15-8-11(46(37,38)39)9-17(18(15)34)48(43,44)45/h1-9,16,34H,(H,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H3,25,26,27,28,29)/b19-12-,32-30?,33-31? | ||||||||
| InChI Key | GHTJMUCODCMEDM-KFWXRUBPSA-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
