Granotapide (CHEM131771)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 19:11:38 UTC | ||||||||
| Update Date | 2026-05-14 19:27:33 UTC | ||||||||
| Accession Number | CHEM131771 | ||||||||
| Identification | |||||||||
| Common Name | Granotapide | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C39H37F3N2O8 | ||||||||
| Average Molecular Mass | 718.726 g/mol | ||||||||
| Monoisotopic Mass | 718.250 g/mol | ||||||||
| CAS Registry Number | 594842-13-4 | ||||||||
| IUPAC Name | 1,3-diethyl 2-[({2-[3-(dimethylcarbamoyl)-4-[4'-(trifluoromethyl)-[1,1'-biphenyl]-2-amido]phenyl]acetyl}oxy)methyl]-2-phenylpropanedioate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)C(COC(=O)CC1=CC=C(NC(=O)C2=CC=CC=C2C2=CC=C(C=C2)C(F)(F)F)C(=C1)C(=O)N(C)C)(C(=O)OCC)C1=CC=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C39H37F3N2O8/c1-5-50-36(48)38(37(49)51-6-2,27-12-8-7-9-13-27)24-52-33(45)23-25-16-21-32(31(22-25)35(47)44(3)4)43-34(46)30-15-11-10-14-29(30)26-17-19-28(20-18-26)39(40,41)42/h7-22H,5-6,23-24H2,1-4H3,(H,43,46) | ||||||||
| InChI Key | FPUQGCOBYOXAED-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 | ||||||||
