Dataset

ROSUVASTATIN

This MassBank record with Accession MSBNK-UPAO-UPA00013 contains the MS2 mass spectrum of ROSUVASTATIN with the InChIkey BPRHUIZQVSMCRT-VEUZHWNKSA-N.

Chemical Info

molecular Image
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
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
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
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ROSUVASTATIN DailyMed
ZINC000001535101 ZINC
EZALLOR rxnorm
CRESTOR rxnorm
ROSUVASTATIN rxnorm
ROSUVASTATIN clinicaltrials
ROSUVASTATIN CALCIUM clinicaltrials
CRESTOR clinicaltrials
S-4522 clinicaltrials
ZD-4522 clinicaltrials
ZD4522 clinicaltrials
HY-17504A MedChemExpress
2954 Guide to Pharmacology
LSM-43032 LINCS
DTXSID8048492 EPA CompTox Dashboard
2406 DrugCentral
ROSUVASTATIN CALCIUM rxnorm
229904 Brenda
MolPort-000-883-884 MolPort
18372 BindingDB
229905 Brenda
446157 PubChem
14810118 PubChem: Thomson Pharma
PD009808 ProbesDrugs
Rosuvastatin Atlas
14834808 PubChem: Thomson Pharma
413KH5ZJ73 FDA SRS
SCHEMBL2520 SureChEMBL
DB01098 DrugBank
rosuvastatin DailyMed
8562 Brenda
J3.118.169K Nikkaji
HMDB0015230 Human Metabolome Database
38545 ChEBI
CHEMBL1496 ChEMBL
877496 eMolecules
The data in this table is sourced from UniChem at EBI.