Dataset
![molecular Image]()
Carbendazim
Chemical Info
| InChI | InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) |
|---|---|
| SMILES | COC(=O)NC1=NC2=CC=CC=C2N1 |
| InChI Key | TWFZGCMQGLPBSX-UHFFFAOYSA-N |
| Molecular Formula | C9H9N3O2 |
| Exact Mass | 191.070 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF405003 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:45:22.553277 |
| MetadataModified | 2025-02-09T19:50:04.184989 |
| MetadataPublished | 2017-01-05 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| H75J14AA89 | FDA SRS |
| 3392 | ChEBI |
| PD058629 | ProbesDrugs |
| 60059466 | NMRShiftDB |
| 15219846 | PubChem: Thomson Pharma |
| SCHEMBL21051 | SureChEMBL |
| 37953-07-4 | ACToR |
| 102040-01-7 | ACToR |
| 502836 | eMolecules |
| CB82492371 | ChemicalBook |
| CB5416930 | ChemicalBook |
| MTBLC3392 | Metabolights |
| DB13009 | DrugBank |
| HMDB0031769 | Human Metabolome Database |
| SCHEMBL19926051 | SureChEMBL |
| 25429 | PubChem |
| MCULE-6012353785 | Mcule |
| CHEMBL70971 | ChEMBL |
| C10897 | KEGG Ligand |
| CARBENDAZIM | clinicaltrials |
| FB-642 | clinicaltrials |
| BAVISTIN | clinicaltrials |
| HY-13582 | MedChemExpress |
| DTXSID4024729 | EPA CompTox Dashboard |
| ZINC000000043475 | ZINC |
| J3.120H | Nikkaji |
| 252983 | Brenda |
| SEDZUW | CCDC |
| 50116313 | BindingDB |
| The data in this table is sourced from UniChem at EBI. | |