Dataset

RIVAROXABAN; ESI-QTOF; MS2; CE 23eV; [M+H]+

This MassBank record with Accession MSBNK-UPAO-UPA00012 contains the MS2 mass spectrum of RIVAROXABAN with the InChIkey KGFYHTZWPPHNLQ-AWEZNQCLSA-N.

Chemical Information

molecular Image
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
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
    • 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.