Dataset

Cefuroxime

This MassBank record with Accession MSBNK-Waters-WA002987 contains the MS mass spectrum of Cefuroxime with the InChIkey JFPVXVDWJQMJEE-IZRZKJBUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
SMILES CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
InChI Key JFPVXVDWJQMJEE-IZRZKJBUSA-N
Molecular Formula C16H16N4O8S
Exact Mass 424.069 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-WA002987
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:42:23.717050
MetadataModified 2025-02-09T20:23:28.548404
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5479529 PubChem
60027800 NMRShiftDB
PD009800 ProbesDrugs
DB01112 DrugBank
14758434 PubChem: Thomson Pharma
SCHEMBL1821942 SureChEMBL
153012-39-6 ACToR
KOV PDBe
16838488 PubChem: Thomson Pharma
O1R9FJ93ED FDA SRS
29538669 eMolecules
ZINC000003871978 ZINC
CB7707485 ChemicalBook
cefuroxime DailyMed
HMDB0015244 Human Metabolome Database
CEFUROXIME SODIUM rxnorm
CEFUROXIME rxnorm
ZINACEF rxnorm
50422689 BindingDB
KEFUROX clinicaltrials
CEFUROXIME clinicaltrials
CEFUROXIME DailyMed
10900 Guide to Pharmacology
ZINACEF clinicaltrials
LSM-44947 LINCS
565 DrugCentral
CEFUROXIME SODIUM clinicaltrials
J13.093A Nikkaji
HY-B1256A MedChemExpress
12015285 PubChem: Drugs of the Future
CHEMBL1436 ChEMBL
3515 ChEBI
C06894 KEGG Ligand
The data in this table is sourced from UniChem at EBI.