Dataset
![molecular Image]()
Chlordiazepoxide
Chemical Info
| InChI | InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19) |
|---|---|
| SMILES | CNC(C2)=Nc(c3)c(cc(Cl)c3)C(=[N+1]([O-1])2)c(c1)cccc1 |
| InChI Key | ANTSCNMPPGJYLG-UHFFFAOYSA-N |
| Molecular Formula | C16H14ClN3O |
| Exact Mass | 299.083 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-WA001505 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:48:08.403816 |
| MetadataModified | 2024-01-11T22:48:08.617922 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 15345734 | PubChem: Thomson Pharma |
| PD003049 | ProbesDrugs |
| DB00475 | DrugBank |
| 6RZ6XEZ3CR | FDA SRS |
| 58-25-3 | ACToR |
| SCHEMBL18474 | SureChEMBL |
| CMABOX | CCDC |
| 3370 | Guide to Pharmacology |
| J2.332I | Nikkaji |
| 20183 | Brenda |
| HMDB0014618 | Human Metabolome Database |
| chlordiazepoxide | DailyMed |
| LIBRIUM | clinicaltrials |
| CHLORDIAZEPOXIDE | rxnorm |
| LIBRITABS | clinicaltrials |
| LIBRELEASE | clinicaltrials |
| LSM-5922 | LINCS |
| 594 | DrugCentral |
| CHLORDIAZEPOXIDE HYDROCHLORIDE | rxnorm |
| CHLORDIAZEPOXIDE | DailyMed |
| CHLORDIAZACHEL | clinicaltrials |
| CHLORDIAZEPOXIDE | clinicaltrials |
| 50007664 | BindingDB |
| DTXSID4046022 | EPA CompTox Dashboard |
| CHLORDIAZEPOXIDE HYDROCHLORIDE | clinicaltrials |
| ZINC000019632917 | ZINC |
| CHEMBL451 | ChEMBL |
| SAM001246815 | NIH Clinical Collection |
| 3611 | ChEBI |
| 901620 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |