Dataset
![molecular Image]()
Clomipramine
Chemical Info
| InChI | InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 |
|---|---|
| SMILES | CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)CCc(cccc2)1 |
| InChI Key | GDLIGKIOYRNHDA-UHFFFAOYSA-N |
| Molecular Formula | C19H23ClN2 |
| Exact Mass | 314.155 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000982 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:50:16.088352 |
| MetadataModified | 2024-01-11T22:50:16.254659 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL415 | ChEMBL |
| C06918 | KEGG Ligand |
| CXX | PDBe |
| 2398 | Guide to Pharmacology |
| DB01242 | DrugBank |
| 1883437 | eMolecules |
| ANAFRANIL | clinicaltrials |
| CLOMIPRAMINE HYDROCHLORIDE | clinicaltrials |
| CLOMICALM | clinicaltrials |
| CLOMIPRAMINE | clinicaltrials |
| DTXSID6022844 | EPA CompTox Dashboard |
| 701 | DrugCentral |
| CLOMIPRAMINE | rxnorm |
| 77970 | BindingDB |
| CLOMIPRAMINE | DailyMed |
| CLOMIPRAMINE HYDROCHLORIDE | rxnorm |
| ANAFRANIL | rxnorm |
| CLOMICALM | rxnorm |
| ZINC000000020248 | ZINC |
| 4115 | Brenda |
| 24402 | Brenda |
| CB5173107 | ChemicalBook |
| clomipramine | DailyMed |
| HMDB0015372 | Human Metabolome Database |
| 48203 | Brenda |
| 75632 | Brenda |
| 15322462 | PubChem: Thomson Pharma |
| 2801 | PubChem |
| PD009943 | ProbesDrugs |
| NUV44L116D | FDA SRS |
| PA449048 | PharmGKB |
| LSM-3171 | LINCS |
| 303-49-1 | ACToR |
| SCHEMBL35423 | SureChEMBL |
| clomipramine | Atlas |
| 47780 | ChEBI |
| MCULE-6443168248 | Mcule |
| J8.630D | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |