Dataset
![molecular Image]()
Procaine
Chemical Info
| InChI | InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 |
| InChI Key | MFDFERRIHVXMIY-UHFFFAOYSA-N |
| Molecular Formula | C13H20N2O2 |
| Exact Mass | 236.315 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310429 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T20:41:08.272662 |
| MetadataModified | 2025-02-09T18:31:39.682412 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| PROCAINE | rxnorm |
| PROCAINE | clinicaltrials |
| PROCAINE HYDROCHLORIDE | clinicaltrials |
| NEOCAINE | clinicaltrials |
| SP-01A | clinicaltrials |
| SP01A | clinicaltrials |
| NOVOCAIN | clinicaltrials |
| HY-B0546 | MedChemExpress |
| DTXSID7045021 | EPA CompTox Dashboard |
| 2271 | DrugCentral |
| ZINC000001530757 | ZINC |
| 4291 | Guide to Pharmacology |
| J4.603E | Nikkaji |
| BEWYIL | CCDC |
| 64452 | BindingDB |
| CB34796982 | ChemicalBook |
| CB94796979 | ChemicalBook |
| PROCAINE | DailyMed |
| PROCAINE HYDROCHLORIDE | rxnorm |
| CHEMBL569 | ChEMBL |
| C07375 | KEGG Ligand |
| DB00721 | DrugBank |
| 8430 | ChEBI |
| CB9296712 | ChemicalBook |
| 10757 | Brenda |
| procaine | DailyMed |
| HMDB0014859 | Human Metabolome Database |
| MCULE-8861116126 | Mcule |
| 10008928 | NMRShiftDB |
| 15196329 | PubChem: Thomson Pharma |
| 4914 | PubChem |
| PD010059 | ProbesDrugs |
| PA451110 | PharmGKB |
| LSM-5396 | LINCS |
| SCHEMBL3524 | SureChEMBL |
| 59-46-1 | ACToR |
| 4Z8Y51M438 | FDA SRS |
| 739616 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |