Dataset
![molecular Image]()
Valsartan
Chemical Info
| InChI | InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 |
|---|---|
| SMILES | CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O |
| InChI Key | ACWBQPMHZXGDFX-QFIPXVFZSA-N |
| Molecular Formula | C24H29N5O3 |
| Exact Mass | 435.227 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-WA002360 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:49:19.565790 |
| MetadataModified | 2024-01-11T22:49:19.721552 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 60846 | PubChem |
| MCULE-6728882368 | Mcule |
| MCULE-8348485974 | Mcule |
| 32278148 | eMolecules |
| 1989469 | eMolecules |
| 33507560 | eMolecules |
| HMDB0014323 | Human Metabolome Database |
| valsartan | DailyMed |
| CB6182539 | ChemicalBook |
| CB23133442 | ChemicalBook |
| CB3952405 | ChemicalBook |
| DB00177 | DrugBank |
| CB53133443 | ChemicalBook |
| 2724803 | eMolecules |
| PD000563 | ProbesDrugs |
| U35 | PDBe |
| 80M03YXJ7I | FDA SRS |
| LSM-2993 | LINCS |
| SCHEMBL2542 | SureChEMBL |
| PA451848 | PharmGKB |
| Valsartan(Diovan) | Selleck |
| 14881173 | PubChem: Thomson Pharma |
| 14856825 | PubChem: Thomson Pharma |
| 99228303 | PubChem: Thomson Pharma |
| CHEMBL1069 | ChEMBL |
| 123055291 | PubChem: Drugs of the Future |
| SAM001246581 | NIH Clinical Collection |
| 9927 | ChEBI |
| 3937 | Guide to Pharmacology |
| 593 | Guide to Pharmacology |
| J550.722G | Nikkaji |
| KIPLIG | CCDC |
| 50049186 | BindingDB |
| VALSARTAN | DailyMed |
| CB34813436 | ChemicalBook |
| CB14657818 | ChemicalBook |
| VALSARTAN | rxnorm |
| DIOVAN | rxnorm |
| EXFORGE | rxnorm |
| CGP 48933 | clinicaltrials |
| CGP-48933 | clinicaltrials |
| VALSARTAN | clinicaltrials |
| PREXXARTAN | clinicaltrials |
| DIOVAN | clinicaltrials |
| HY-18204 | MedChemExpress |
| 2806 | DrugCentral |
| ZINC000003875259 | ZINC |
| The data in this table is sourced from UniChem at EBI. | |