7-[3-(3-carbamoylpyridin-1-ium-1-yl)propanoylamino]-4-hydroxy-3-[[4-[3-(3-methylimidazol-3-ium-1-yl)propanoylamino]phenyl]diazenyl]naphthalene-2-sulfonic acid (CHEM348017)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 18:17:05 UTC | ||||||||
| Update Date | 2026-08-31 18:17:05 UTC | ||||||||
| Accession Number | CHEM348017 | ||||||||
| Identification | |||||||||
| Common Name | 7-[3-(3-carbamoylpyridin-1-ium-1-yl)propanoylamino]-4-hydroxy-3-[[4-[3-(3-methylimidazol-3-ium-1-yl)propanoylamino]phenyl]diazenyl]naphthalene-2-sulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 7-[3-(3-carbamoylpyridin-1-ium-1-yl)propanoylamino]-4-hydroxy-3-[[4-[3-(3-methylimidazol-3-ium-1-yl)propanoylamino]phenyl]diazenyl]naphthalene-2-sulfonic acid has the chemical formula C32H32N8O7S+2. With an average molecular weight of 672.70 g/mol, 7-[3-(3-carbamoylpyridin-1-ium-1-yl)propanoylamino]-4-hydroxy-3-[[4-[3-(3-methylimidazol-3-ium-1-yl)propanoylamino]phenyl]diazenyl]naphthalene-2-sulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C32H32N8O7S+2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 672.211 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 7-[3-(3-carbamoylpyridin-1-ium-1-yl)propanoylamino]-4-hydroxy-3-[[4-[3-(3-methylimidazol-3-ium-1-yl)propanoylamino]phenyl]diazenyl]naphthalene-2-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C[N+]1=CN(C=C1)CCC(=O)NC2=CC=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC(=O)CC[N+]5=CC=CC(=C5)C(=O)N)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C32H30N8O7S/c1-38-15-16-40(20-38)14-11-28(41)34-23-4-6-24(7-5-23)36-37-30-27(48(45,46)47)18-22-17-25(8-9-26(22)31(30)43)35-29(42)10-13-39-12-2-3-21(19-39)32(33)44/h2-9,12,15-20H,10-11,13-14H2,1H3,(H4-2,33,34,35,36,37,41,42,43,44,45,46,47)/p+2 | ||||||||
| InChI Key | WTTDJQFRMADTTI-UHFFFAOYSA-P | ||||||||
| 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 | ||||||||
