Dataset
![molecular Image]()
Rifampin
Chemical Info
| InChI | InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 |
|---|---|
| SMILES | Oc(c21)c(C=NN(C5)CCN(C)C5)c(N4)c(O)c1c(O)c(C)c(O3)c2C(=O)C(C)3OC=CC(C(C(C(C)C(C(C(O)C(C=CC=C(C)C4=O)C)C)O)OC(C)=O)C)OC |
| InChI Key | JQXXHWHPUNPDRT-WLSIYKJHSA-N |
| Molecular Formula | C43H58N4O12 |
| Exact Mass | 822.405 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-WA002025 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:49:08.318392 |
| MetadataModified | 2024-01-11T22:49:08.474291 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DTXSID6021244 | EPA CompTox Dashboard |
| LSM-43162 | LINCS |
| RIFAMPIN | DailyMed |
| RIFAMPIN | rxnorm |
| RIFADIN | rxnorm |
| L-5103 | clinicaltrials |
| EREMFAT | clinicaltrials |
| RIFADIN | clinicaltrials |
| RIFADINE | clinicaltrials |
| RIFAMPICIN | clinicaltrials |
| RIFAMPIN | clinicaltrials |
| RIMACTAN | clinicaltrials |
| RIMACTANE | clinicaltrials |
| HY-B0272 | MedChemExpress |
| LOPZEX | CCDC |
| 50370232 | BindingDB |
| 2765 | Guide to Pharmacology |
| 24714737 | PubChem: Drugs of the Future |
| RFP | PDBe |
| 28077 | ChEBI |
| C06688 | KEGG Ligand |
| 14865086 | PubChem: Thomson Pharma |
| Rifampin(Rifadin) | Selleck |
| 14791501 | PubChem: Thomson Pharma |
| VJT6J7R4TR | FDA SRS |
| 13292-46-1 | ACToR |
| PD009580 | ProbesDrugs |
| DB01045 | DrugBank |
| rifampicin | Atlas |
| CHEMBL374478 | ChEMBL |
| 71365 | ChEBI |
| CB7474473 | ChemicalBook |
| rifampin | DailyMed |
| 135398735 | PubChem |
| 136262914 | PubChem |
| 71365 | Rhea |
| ZINC000169621223 | ZINC |
| MTBLC71365 | Metabolights |
| MTBLC28077 | Metabolights |
| SCHEMBL23490 | SureChEMBL |
| 511733 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |