3-[4-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-2-[(prop-2-enoylamino)methyl]benzenesulfonic acid (CHEM348594)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 19:10:50 UTC | ||||||||
| Update Date | 2026-08-31 19:10:50 UTC | ||||||||
| Accession Number | CHEM348594 | ||||||||
| Identification | |||||||||
| Common Name | 3-[4-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-2-[(prop-2-enoylamino)methyl]benzenesulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[4-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-2-[(prop-2-enoylamino)methyl]benzenesulfonic acid is a chemical compound with the formula C33H29N3O7S. With an average molecular weight of 611.70 g/mol, 3-[4-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-2-[(prop-2-enoylamino)methyl]benzenesulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C33H29N3O7S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 611.173 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-[4-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]phenoxy]-2-[(prop-2-enoylamino)methyl]benzenesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)NC1=C2C(=C(C=C1)NC3=CC=C(C=C3)OC4=C(C(=CC=C4)S(=O)(=O)O)CNC(=O)C=C)C(=O)C5=CC=CC=C5C2=O | ||||||||
| InChI Identifier | InChI=1S/C33H29N3O7S/c1-4-29(37)34-18-24-27(10-7-11-28(24)44(40,41)42)43-21-14-12-20(13-15-21)36-26-17-16-25(35-19(2)3)30-31(26)33(39)23-9-6-5-8-22(23)32(30)38/h4-17,19,35-36H,1,18H2,2-3H3,(H,34,37)(H,40,41,42) | ||||||||
| InChI Key | QBTXEADFSRZAQA-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 | ||||||||
