Dataset
![molecular Image]()
Triclocarban
Chemical Info
| InChI | InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19) |
|---|---|
| SMILES | ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)C=C1 |
| InChI Key | ICUTUKXCWQYESQ-UHFFFAOYSA-N |
| Molecular Formula | C13H9Cl3N2O |
| Exact Mass | 313.978 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-UF418753 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:52:51.091686 |
| MetadataModified | 2025-02-09T19:47:43.892626 |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| PD014559 | ProbesDrugs |
| 14923611 | PubChem: Thomson Pharma |
| 101-20-2 | ACToR |
| BGG1Y1ED0Y | FDA SRS |
| 478039 | eMolecules |
| SCHEMBL68658 | SureChEMBL |
| MCULE-7925567906 | Mcule |
| 7547 | PubChem |
| CB7193925 | ChemicalBook |
| triclocarban | DailyMed |
| 9EG | PDBe |
| 40316 | Brenda |
| DB11155 | DrugBank |
| 151356 | Brenda |
| 48347 | ChEBI |
| CHEMBL1076347 | ChEMBL |
| 3630 | DrugCentral |
| ZINC000000121480 | ZINC |
| J60.108J | Nikkaji |
| HMDB0240702 | Human Metabolome Database |
| YEHHUQ | CCDC |
| DTXSID4026214 | EPA CompTox Dashboard |
| HY-B1805 | MedChemExpress |
| TRICLOCARBAN | DailyMed |
| TRICLOCARBAN | rxnorm |
| TRICLOCARBAN | clinicaltrials |
| 25730 | BindingDB |
| The data in this table is sourced from UniChem at EBI. | |