2-[[2-[4-[2-[4-[[4-[(6-acetamido-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid (CHEM353315)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 04:30:33 UTC | ||||||||
| Update Date | 2026-09-01 04:30:33 UTC | ||||||||
| Accession Number | CHEM353315 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[2-[4-[2-[4-[[4-[(6-acetamido-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C47H35N9O21S5 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1221.055 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=CC(=C(C5=C4C=C(C=C5)S(=O)(=O)O)N=NC6=C(C=C7C=C(C=CC7=C6O)NC(=O)C)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)N=NC8=C(C=C(C=C8)S(=O)(=O)O)C(=O)O | ||||||||
| InChI Identifier | InChI=1S/C47H35N9O21S5/c1-22-42(52-50-36-14-11-31(79(66,67)68)20-35(36)47(61)62)46(60)56(55-22)29-9-6-25(40(18-29)81(72,73)74)4-3-24-5-7-28(17-39(24)80(69,70)71)49-51-37-21-38(58)43(33-13-10-30(19-34(33)37)78(63,64)65)53-54-44-41(82(75,76)77)16-26-15-27(48-23(2)57)8-12-32(26)45(44)59/h3-21,55,58-59H,1-2H3,(H,48,57)(H,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77) | ||||||||
| InChI Key | YDMYLUBBYTZOOO-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 | |||||||||
| 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 | ||||||||
