Dataset
![molecular Image]()
RIVAROXABAN
Chemical Info
| InChI | InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 |
|---|---|
| SMILES | C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl |
| InChI Key | KGFYHTZWPPHNLQ-AWEZNQCLSA-N |
| Molecular Formula | C19H18ClN3O5S |
| Exact Mass | 435.066 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00012 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:09:58.390611 |
| MetadataModified | 2025-02-09T19:56:34.596507 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL198362 | ChEMBL |
| RIV | PDBe |
| 22395270 | PubChem: Drugs of the Future |
| RIVAROXABAN | DailyMed |
| 7840 | BindingDB |
| RIVAROXABAN | rxnorm |
| CB82511258 | ChemicalBook |
| XARELTO | clinicaltrials |
| JNJ39039039 | clinicaltrials |
| RIVAROXABAN | clinicaltrials |
| BAY-59-7939 | clinicaltrials |
| BAY 59-7939 | clinicaltrials |
| JNJ-39039039 | clinicaltrials |
| HY-50903 | MedChemExpress |
| J2.395.184C | Nikkaji |
| 4182 | DrugCentral |
| 6388 | Guide to Pharmacology |
| LEMSOO | CCDC |
| XARELTO | rxnorm |
| 4737 | Brenda |
| CB91176772 | ChemicalBook |
| rivaroxaban | DailyMed |
| ZINC000003964126 | ZINC |
| 85908 | Brenda |
| SCHEMBL3914 | SureChEMBL |
| 14856850 | PubChem: Thomson Pharma |
| 9875401 | PubChem |
| 15279667 | PubChem: Thomson Pharma |
| DB06228 | DrugBank |
| LSM-5499 | LINCS |
| 9NDF7JZ4M3 | FDA SRS |
| 68579 | ChEBI |
| PD004365 | ProbesDrugs |
| 366789-02-8 | ACToR |
| 27523812 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |