2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-n-(carboxymethyl)-4-methylanilino]acetic acid (CHEM214436)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 11:51:59 UTC | ||||||||
| Update Date | 2026-08-22 11:51:59 UTC | ||||||||
| Accession Number | CHEM214436 | ||||||||
| Identification | |||||||||
| Common Name | 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-n-(carboxymethyl)-4-methylanilino]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-n-(carboxymethyl)-4-methylanilino]acetic acid belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. With an average molecular weight of 736.60 g/mol, 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-n-(carboxymethyl)-4-methylanilino]acetic acid is a heavy molecule. Its chemical formula is C36H30F2N2O13. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C36H30F2N2O13 | ||||||||
| Average Molecular Mass | 736.600 g/mol | ||||||||
| Monoisotopic Mass | 736.172 g/mol | ||||||||
| CAS Registry Number | 273221-59-3 | ||||||||
| IUPAC Name | 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C36H30F2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50) | ||||||||
| InChI Key | OUVXYXNWSVIOSJ-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 |
| ||||||||
| 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 | ||||||||
