Dataset
![molecular Image]()
Cimetidine
Chemical Info
| InChI | InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC(=NC)NC#N |
| InChI Key | AQIXAKUUQRKLND-UHFFFAOYSA-N |
| Molecular Formula | C10H16N6S |
| Exact Mass | 252.116 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-WA001572 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:38:24.303564 |
| MetadataModified | 2025-02-09T20:22:20.042973 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 2756 | PubChem |
| PD001634 | ProbesDrugs |
| 80061L1WGD | FDA SRS |
| cimetidine | Atlas |
| LSM-2404 | LINCS |
| 15196790 | PubChem: Thomson Pharma |
| 51481-61-9 | ACToR |
| SCHEMBL1093 | SureChEMBL |
| PA449001 | PharmGKB |
| 14774387 | PubChem: Thomson Pharma |
| 15122273 | PubChem: Thomson Pharma |
| 2984-61-4 | ACToR |
| 26714830 | eMolecules |
| 6208997 | eMolecules |
| 1107425 | eMolecules |
| 19230646 | eMolecules |
| 901649 | eMolecules |
| ZINC000018115268 | ZINC |
| cimetidine | DailyMed |
| CB4229414 | ChemicalBook |
| HMDB0014644 | Human Metabolome Database |
| 5306 | Brenda |
| 204960 | Brenda |
| MCULE-2885245608 | Mcule |
| 22889 | BindingDB |
| 50403559 | BindingDB |
| CIMETD | CCDC |
| SD9 | PDBe |
| J3.190I | Nikkaji |
| 645 | DrugCentral |
| 181119 | BindingDB |
| DTXSID4020329 | EPA CompTox Dashboard |
| HY-14289 | MedChemExpress |
| TAGAMET | clinicaltrials |
| ACILOC | clinicaltrials |
| CIMETIDINE HYDROCHLORIDE | clinicaltrials |
| CIMETIDINE | clinicaltrials |
| SKF-92334 | clinicaltrials |
| TAGAMET | rxnorm |
| CIMETIDINE HYDROCHLORIDE | rxnorm |
| CIMETIDINE | rxnorm |
| 229279 | Brenda |
| CB31086794 | ChemicalBook |
| CIMETIDINE | DailyMed |
| 229278 | Brenda |
| Cimetidine(Tagamet) | Selleck |
| 50103595 | BindingDB |
| CHEMBL30 | ChEMBL |
| SAM002554892 | NIH Clinical Collection |
| 3699 | ChEBI |
| 1231 | Guide to Pharmacology |
| 12013445 | PubChem: Drugs of the Future |
| C06952 | KEGG Ligand |
| DB00501 | DrugBank |
| The data in this table is sourced from UniChem at EBI. | |