Dataset

Cefuroxime

This MassBank record with Accession MSBNK-Waters-WA002994 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-WA002994
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:21.109202
MetadataModified 2024-01-11T22:49:21.258487
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12015285 PubChem: Drugs of the Future
C06894 KEGG Ligand
3515 ChEBI
CHEMBL1436 ChEMBL
29538669 eMolecules
60027800 NMRShiftDB
SCHEMBL1821942 SureChEMBL
153012-39-6 ACToR
KOV PDBe
16838488 PubChem: Thomson Pharma
14758434 PubChem: Thomson Pharma
5479529 PubChem
PD009800 ProbesDrugs
DB01112 DrugBank
O1R9FJ93ED FDA SRS
CB7707485 ChemicalBook
cefuroxime DailyMed
HMDB0015244 Human Metabolome Database
50422689 BindingDB
MolPort-005-938-003 MolPort
J13.093A Nikkaji
10900 Guide to Pharmacology
CEFUROXIME DailyMed
CEFUROXIME SODIUM rxnorm
CEFUROXIME rxnorm
ZINACEF rxnorm
KEFUROX clinicaltrials
ZINC000003871978 ZINC
CEFUROXIME SODIUM clinicaltrials
HY-B1256A MedChemExpress
ZINACEF clinicaltrials
LSM-44947 LINCS
565 DrugCentral
CEFUROXIME clinicaltrials
The data in this table is sourced from UniChem at EBI.