Dataset
![molecular Image]()
Heptaminol
Chemical Info
| InChI | InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3 |
|---|---|
| SMILES | CC(N)CCCC(C)(C)O |
| InChI Key | LREQLEBVOXIEOM-UHFFFAOYSA-N |
| Molecular Formula | C8H19NO |
| Exact Mass | 145.147 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-WA001456 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:48:42.986994 |
| MetadataModified | 2024-01-11T22:48:43.153442 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| J22.271B | Nikkaji |
| HMDB0253104 | Human Metabolome Database |
| HEPTAMINOL | DailyMed |
| SCHEMBL152610 | SureChEMBL |
| HEPTAMINOL | rxnorm |
| 3DQS188SY5 | FDA SRS |
| MolPort-001-791-773 | MolPort |
| HEPTAMINOL HYDROCHLORIDE | rxnorm |
| 50101812 | BindingDB |
| DB13574 | DrugBank |
| CB4240604 | ChemicalBook |
| 94362 | ChEBI |
| DTXSID4048484 | EPA CompTox Dashboard |
| 1361 | DrugCentral |
| 193115 | Brenda |
| PD013342 | ProbesDrugs |
| CHEMBL2111076 | ChEMBL |
| LSM-5026 | LINCS |
| 715128 | eMolecules |
| 16935506 | PubChem: Thomson Pharma |
| 3590 | PubChem |
| 372-66-7 | ACToR |
| MCULE-7476869058 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |