Dataset
![molecular Image]()
Ambroxol
Chemical Info
| InChI | InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11- |
|---|---|
| SMILES | OC(C2)CCC(C2)NCc(c1)c(N)c(Br)cc(Br)1 |
| InChI Key | JBDGDEWWOUBZPM-XYPYZODXSA-N |
| Molecular Formula | C13H18Br2N2O |
| Exact Mass | 375.979 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-WA001855 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:34:24.886300 |
| MetadataModified | 2025-02-09T20:25:47.535354 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| HY-B1039 | MedChemExpress |
| DTXSID8022583 | EPA CompTox Dashboard |
| LSM-3260 | LINCS |
| FIYBEV | CCDC |
| DB06742 | DrugBank |
| 147 | DrugCentral |
| 135590 | ChEBI |
| J13.659J | Nikkaji |
| 50395322 | BindingDB |
| AMBROXOL | rxnorm |
| AMBROXOL | clinicaltrials |
| CHEMBL153479 | ChEMBL |
| SCHEMBL18702 | SureChEMBL |
| MCULE-9463281275 | Mcule |
| 71010 | Brenda |
| ZINC000100070274 | ZINC |
| CB9186114 | ChemicalBook |
| 534810 | eMolecules |
| PD012068 | ProbesDrugs |
| 14829200 | PubChem: Thomson Pharma |
| 18683-91-5 | ACToR |
| 200168S0CL | FDA SRS |
| The data in this table is sourced from UniChem at EBI. | |