Dataset
ROSUVASTATIN
Chemical Info
InChI | InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1 |
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SMILES | CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C |
InChI Key | BPRHUIZQVSMCRT-VEUZHWNKSA-N |
Molecular Formula | C22H28FN3O6S |
Exact Mass | 481.168 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00013 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:10:00.847251 |
MetadataModified | 2024-09-23T09:46:00.855886 |
MetadataPublished |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
38545 | ChEBI |
CHEMBL1496 | ChEMBL |
877496 | eMolecules |
446157 | PubChem |
14810118 | PubChem: Thomson Pharma |
PD009808 | ProbesDrugs |
Rosuvastatin | Atlas |
14834808 | PubChem: Thomson Pharma |
413KH5ZJ73 | FDA SRS |
SCHEMBL2520 | SureChEMBL |
DB01098 | DrugBank |
229904 | Brenda |
229905 | Brenda |
DTXSID8048492 | EPA CompTox Dashboard |
LSM-43032 | LINCS |
ZINC000001535101 | ZINC |
18372 | BindingDB |
ROSUVASTATIN | DailyMed |
ROSUVASTATIN CALCIUM | rxnorm |
EZALLOR | rxnorm |
CRESTOR | rxnorm |
ROSUVASTATIN | rxnorm |
S-4522 | clinicaltrials |
ROSUVASTATIN | clinicaltrials |
ROSUVASTATIN CALCIUM | clinicaltrials |
CRESTOR | clinicaltrials |
ZD-4522 | clinicaltrials |
ZD4522 | clinicaltrials |
HY-17504A | MedChemExpress |
2954 | Guide to Pharmacology |
2406 | DrugCentral |
rosuvastatin | DailyMed |
J3.118.169K | Nikkaji |
8562 | Brenda |
HMDB0015230 | Human Metabolome Database |
The data in this table is sourced from UniChem at EBI. |