Dataset

Indomethacin

This MassBank record with Accession MSBNK-Waters-WA001440 contains the MS mass spectrum of Indomethacin with the InChIkey CGIGDMFJXJATDK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
SMILES COc(c3)cc(c(CC(O)=O)1)c(c3)n(C(=O)c(c2)ccc(Cl)c2)c(C)1
InChI Key CGIGDMFJXJATDK-UHFFFAOYSA-N
Molecular Formula C19H16ClNO4
Exact Mass 357.077 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-WA001440
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:34:01.228776
MetadataModified 2025-02-09T20:25:25.634687
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
546 Brenda
HMDB0014473 Human Metabolome Database
CB1750267 ChemicalBook
indomethacin DailyMed
MTBLC49662 Metabolights
98002 Brenda
125887 Brenda
20208999 NMRShiftDB
SCHEMBL9300 SureChEMBL
49662 ChEBI
MCULE-5636486088 Mcule
3715 PubChem
LSM-3275 LINCS
Indomethacin(Indocid) Selleck
PA449982 PharmGKB
37242-43-6 ACToR
53-86-1 ACToR
XXE1CET956 FDA SRS
14754602 PubChem: Thomson Pharma
PD002292 ProbesDrugs
indometacin Atlas
indomethacin Atlas
522904 eMolecules
DB00328 DrugBank
C01926 KEGG Ligand
CHEMBL6 ChEMBL
1909 Guide to Pharmacology
IMN PDBe
INDOMETHACIN clinicaltrials
INDOCIN clinicaltrials
HY-14397 MedChemExpress
DTXSID9020740 EPA CompTox Dashboard
1440 DrugCentral
ZINC000000601283 ZINC
J1.368D Nikkaji
INDMET CCDC
17638 BindingDB
INDOMETHACIN DailyMed
TIVORBEX rxnorm
INDOCIN rxnorm
INDOMETHACIN SODIUM rxnorm
INDOMETHACIN rxnorm
TIVORBEX clinicaltrials
INDOMETACIN clinicaltrials
INDOMETACIN SODIUM TRIHYDRATE clinicaltrials
127068 Brenda
The data in this table is sourced from UniChem at EBI.