Afatinib (CHEM077385)
| Record Information | ||||||||||
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| Version | 1.0 | |||||||||
| Creation Date | 2026-04-04 18:13:48 UTC | |||||||||
| Update Date | 2026-08-22 03:20:33 UTC | |||||||||
| Accession Number | CHEM077385 | |||||||||
| Identification | ||||||||||
| Common Name | Afatinib | |||||||||
| Class | Small Molecule | |||||||||
| Description | Afatinib is an organic compound with the formula C24H25Cl1F1N5O3 and an average molecular weight of 485.94 g/mol. Afatinib belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. It is categorized under the superclass of organoheterocyclic compounds. This compound acts as an inhibitor for three protein targets: the Epidermal growth factor receptor (EGFR), Receptor tyrosine-protein kinase erbB-2 (ERBB2), and Receptor tyrosine-protein kinase erbB-4 (ERBB4). Afatinib is found in or released from two recorded sources: antineoplastic agents within healthcare, pharmaceuticals, and veterinary products, as well as tobacco pipes within household cleaning and consumer products. The recorded route of exposure for this compound is oral. | |||||||||
| Contaminant Sources | Not Available | |||||||||
| Contaminant Type | Not Available | |||||||||
| Chemical Structure |  | |||||||||
| Synonyms | Not Available | |||||||||
| Chemical Formula | C24H25Cl1F1N5O3 | |||||||||
| Average Molecular Mass | 485.940 g/mol | |||||||||
| Monoisotopic Mass | 485.163 g/mol | |||||||||
| CAS Registry Number | 850140-72-6 | |||||||||
| IUPAC Name | N-[4-(3-chloro-4-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]-4-(dimethylamino)but-2-enamide | |||||||||
| Traditional Name | Not Available | |||||||||
| SMILES | CN(C)CC=CC(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1 | |||||||||
| InChI Identifier | InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29) | |||||||||
| InChI Key | ULXXDDBFHOBEHA-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 | |||||||||
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| 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 | |||||||||
