2-[[1-[4-[2-[4-[[(e)-4-[4-[(e)-2-[4-[4-[(2-carboxy-4-sulfophenyl)diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-sulfophenyl]ethenyl]-2-sulfoanilino]-4-oxobut-2-enoyl]amino]-3-sulfophenyl]ethenyl]-2-sulfophenyl]-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid (CHEM355138)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 07:12:27 UTC | ||||||||
| Update Date | 2026-09-01 07:12:27 UTC | ||||||||
| Accession Number | CHEM355138 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[1-[4-[2-[4-[[(e)-4-[4-[(e)-2-[4-[4-[(2-carboxy-4-sulfophenyl)diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-sulfophenyl]ethenyl]-2-sulfoanilino]-4-oxobut-2-enoyl]amino]-3-sulfophenyl]ethenyl]-2-sulfophenyl]-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM355138: 2-[[1-[4-[2-[4-[[(e)-4-[4-[(e)-2-[4-[4-[(2-carboxy-4-sulfophenyl)diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-sulfophenyl]ethenyl]-2-sulfoanilino]-4-oxobut-2-enoyl]amino]-3-sulfophenyl]ethenyl]-2-sulfophenyl]-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid
| ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C54H42N10O26S6 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1438.060 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)C3=C(C=C(C=C3)C=CC4=CC(=C(C=C4)NC(=O)C=CC(=O)NC5=C(C=C(C=C5)C=CC6=CC(=C(C=C6)N7C(=O)C(C(=N7)C)N=NC8=C(C=C(C=C8)S(=O)(=O)O)C(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C54H42N10O26S6/c1-27-49(59-57-37-15-11-33(91(73,74)75)25-35(37)53(69)70)51(67)63(61-27)41-17-9-31(23-45(41)95(85,86)87)5-3-29-7-13-39(43(21-29)93(79,80)81)55-47(65)19-20-48(66)56-40-14-8-30(22-44(40)94(82,83)84)4-6-32-10-18-42(46(24-32)96(88,89)90)64-52(68)50(28(2)62-64)60-58-38-16-12-34(92(76,77)78)26-36(38)54(71)72/h3-26,49-50H,1-2H3,(H,55,65)(H,56,66)(H,69,70)(H,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/b5-3+,6-4?,20-19+,59-57?,60-58? | ||||||||
| InChI Key | WIFOQPNFLNESFX-RMKGXBTKSA-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | |||||||||
| 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 | ||||||||
