7-[[4-[[4-[(2e)-2-[2-(cyanoamino)-4,6-dioxo-1h-pyrimidin-5-ylidene]hydrazinyl]benzoyl]amino]-3-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid (CHEM344886)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 13:19:13 UTC | ||||||||
| Update Date | 2026-08-31 13:19:13 UTC | ||||||||
| Accession Number | CHEM344886 | ||||||||
| Identification | |||||||||
| Common Name | 7-[[4-[[4-[(2e)-2-[2-(cyanoamino)-4,6-dioxo-1h-pyrimidin-5-ylidene]hydrazinyl]benzoyl]amino]-3-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 7-[[4-[[4-[(2e)-2-[2-(cyanoamino)-4,6-dioxo-1h-pyrimidin-5-ylidene]hydrazinyl]benzoyl]amino]-3-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid has the chemical formula C29H21N9O10S2. With an average molecular weight of 719.70 g/mol, 7-[[4-[[4-[(2e)-2-[2-(cyanoamino)-4,6-dioxo-1h-pyrimidin-5-ylidene]hydrazinyl]benzoyl]amino]-3-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H21N9O10S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 719.085 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 7-[[4-[[4-[(2e)-2-[2-(cyanoamino)-4,6-dioxo-1h-pyrimidin-5-ylidene]hydrazinyl]benzoyl]amino]-3-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC=C(C=C4)NN=C5C(=O)NC(=NC5=O)NC#N | ||||||||
| InChI Identifier | InChI=1S/C29H21N9O10S2/c1-48-23-12-19(37-36-18-7-4-16-10-20(49(42,43)44)13-24(21(16)11-18)50(45,46)47)8-9-22(23)32-26(39)15-2-5-17(6-3-15)35-38-25-27(40)33-29(31-14-30)34-28(25)41/h2-13,35H,1H3,(H,32,39)(H,42,43,44)(H,45,46,47)(H2,31,33,34,40,41) | ||||||||
| InChI Key | DIWRQNHGCSREFU-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 | ||||||||
