Dataset
![molecular Image]()
Pentamidine
Chemical Info
| InChI | InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23) |
|---|---|
| SMILES | NC(=N)c(c1)ccc(OCCCCCOc(c2)ccc(C(N)=N)c2)c1 |
| InChI Key | XDRYMKDFEDOLFX-UHFFFAOYSA-N |
| Molecular Formula | C19H24N4O2 |
| Exact Mass | 340.190 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-Fiocruz-FIO00453 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T16:43:33.965827 |
| MetadataModified | 2025-02-09T13:15:41.117222 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL55 | ChEMBL |
| PNT | PDBe |
| C07420 | KEGG Ligand |
| DB00738 | DrugBank |
| PENTAM 300 | clinicaltrials |
| PENTAMIDINE | clinicaltrials |
| PENTAMIDINE ISETHIONATE | clinicaltrials |
| PENTAMIDINE ISETIONATE | clinicaltrials |
| PENTACARINAT | clinicaltrials |
| NEBUPENT | clinicaltrials |
| 45440 | BindingDB |
| OCZ103-OS | clinicaltrials |
| HY-B0537 | MedChemExpress |
| PENTAM | rxnorm |
| PENTAMIDINE | rxnorm |
| PENTAMIDINE ISETHIONATE | rxnorm |
| PENTAMIDINE | DailyMed |
| J5.512C | Nikkaji |
| ZINC000001530775 | ZINC |
| 2090 | DrugCentral |
| DTXSID7023431 | EPA CompTox Dashboard |
| NEBUPENT | rxnorm |
| CB4476092 | ChemicalBook |
| 14802371 | PubChem: Thomson Pharma |
| 45081 | ChEBI |
| MCULE-8512828218 | Mcule |
| 77153 | Brenda |
| 40234 | Brenda |
| 2216 | Brenda |
| pentamidine | DailyMed |
| HMDB0014876 | Human Metabolome Database |
| 4735 | PubChem |
| PD010048 | ProbesDrugs |
| pentamidine | Atlas |
| SCHEMBL3329 | SureChEMBL |
| LSM-4540 | LINCS |
| 100-33-4 | ACToR |
| PA450850 | PharmGKB |
| 673LC5J4LQ | FDA SRS |
| 1012733 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |