Dataset
![molecular Image]()
Imatinib
Chemical Info
| InChI | InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 |
| InChI Key | KTUFNOKKBVMGRW-UHFFFAOYSA-N |
| Molecular Formula | C29H31N7O |
| Exact Mass | 493.259 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00363305 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2025-02-09T10:00:03.079344 |
| MetadataModified | 2025-02-09T10:00:03.273384 |
| MetadataPublished | 2024-06-14 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-2384256888 | Mcule |
| ZINC000019632618 | ZINC |
| 2314 | Brenda |
| HMDB0014757 | Human Metabolome Database |
| imatinib | DailyMed |
| CB7370890 | ChemicalBook |
| 163324 | Brenda |
| 5291 | PubChem |
| 14859628 | PubChem: Thomson Pharma |
| PD001319 | ProbesDrugs |
| QTI-571 | clinicaltrials |
| QTI571 | clinicaltrials |
| NSC-716051 | clinicaltrials |
| imatinib | Atlas |
| SCHEMBL3827 | SureChEMBL |
| BKJ8M8G5HI | FDA SRS |
| LSM-1023 | LINCS |
| 152459-95-5 | ACToR |
| PA10804 | PharmGKB |
| Imatinib(STI571) | Selleck |
| 876446 | eMolecules |
| CHEMBL941 | ChEMBL |
| STI | PDBe |
| DB00619 | DrugBank |
| IMATINIB | clinicaltrials |
| IMATINIB MESILATE | clinicaltrials |
| IMATINIB MESYLATE | clinicaltrials |
| IMATINIB METHANESULFONATE | clinicaltrials |
| STI 571 | clinicaltrials |
| STI-571 | clinicaltrials |
| STI571 | clinicaltrials |
| GLAMOX | clinicaltrials |
| GLEEVEC | clinicaltrials |
| HY-15463 | MedChemExpress |
| 229530 | Brenda |
| DTXSID3037125 | EPA CompTox Dashboard |
| 1423 | DrugCentral |
| 5687 | Guide to Pharmacology |
| J1.337.143A | Nikkaji |
| KIZXAW | CCDC |
| 13530 | BindingDB |
| IMATINIB | DailyMed |
| 229529 | Brenda |
| GLEEVEC | rxnorm |
| IMATINIB MESYLATE | rxnorm |
| IMATINIB | rxnorm |
| 45783 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |